3V8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C18	CA	sing	1.54Å	1.54Å
C18	C19	sing	1.55Å	1.53Å
CA	C	sing	1.51Å	1.53Å
CA	N	sing	1.47Å	1.47Å
C	O	doub	1.21Å	1.23Å
C19	C20	sing	1.55Å	1.53Å
C19	N5	sing	1.46Å	1.51Å
C20	N	sing	1.48Å	1.47Å
C11	C10	sing	1.51Å	1.52Å
C11	C12	sing	1.53Å	1.52Å
C12	C31	sing	1.51Å	1.50Å
C10	O3	doub	1.21Å	1.23Å
N5	C30	sing	1.35Å	1.34Å	Aromatic
N5	N9	sing	1.29Å	1.35Å	Aromatic
C30	C31	doub	1.35Å	1.37Å	Aromatic
C31	N8	sing	1.34Å	1.36Å	Aromatic
N8	N9	doub	1.29Å	1.31Å	Aromatic
C18	H21	sing	1.09Å	1.10Å
C18	H20	sing	1.09Å	1.10Å
CA	HA	sing	1.09Å	1.10Å
C19	H22	sing	1.09Å	1.10Å
C20	H24	sing	1.09Å	1.10Å
C20	H23	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C30	H42	sing	1.08Å	1.08Å
C	OXT	sing	1.34Å	1.33Å
OXT	HXT	sing	0.97Å	0.95Å
N	H	sing	1.01Å	1.00Å
C10	O1	sing	1.34Å	1.36Å
O1	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	C18	C19	108.4°	103.0°
C18	CA	C	111.3°	109.9°
C18	CA	N	103.3°	107.2°
CA	C18	H21	109.7°	110.7°
CA	C18	H20	109.7°	110.7°
C18	CA	HA	110.8°	109.9°
C18	C19	C20	103.5°	101.6°
C18	C19	N5	114.1°	111.0°
C19	C18	H21	109.7°	110.7°
C19	C18	H20	109.8°	110.7°
C18	C19	H22	109.4°	111.0°
C	CA	N	108.3°	109.9°
CA	C	O	120.5°	120.0°
C	CA	HA	111.0°	109.9°
CA	C	OXT	116.7°	120.0°
CA	N	C20	111.6°	108.6°
N	CA	HA	111.9°	110.0°
CA	N	H	108.9°	111.0°
O	C	OXT	122.8°	120.0°
C20	C19	N5	110.8°	111.0°
C19	C20	N	103.9°	104.8°
C20	C19	H22	109.3°	111.0°
C19	C20	H24	110.8°	110.4°
C19	C20	H23	110.8°	110.4°
C19	N5	C30	128.8°	125.9°
C19	N5	N9	120.4°	125.9°
N5	C19	H22	109.5°	110.9°
N	C20	H24	110.8°	110.4°
N	C20	H23	110.9°	110.4°
C20	N	H	108.9°	111.0°
C10	C11	C12	112.2°	109.5°
C11	C10	O3	120.6°	120.0°
C10	C11	H11	108.8°	109.5°
C10	C11	H10	108.8°	109.4°
C11	C10	O1	115.4°	120.0°
C11	C12	C31	107.5°	109.4°
C12	C11	H11	108.7°	109.5°
C12	C11	H10	108.8°	109.4°
C11	C12	H13	110.0°	109.5°
C11	C12	H12	110.0°	109.5°
C12	C31	C30	130.9°	126.7°
C12	C31	N8	120.6°	126.8°
C31	C12	H13	110.0°	109.5°
C31	C12	H12	110.0°	109.5°
O3	C10	O1	124.0°	120.0°
C30	N5	N9	110.7°	108.3°
N5	C30	C31	105.1°	106.2°
N5	C30	H42	127.4°	126.9°
N5	N9	N8	106.9°	110.2°
C30	C31	N8	108.0°	106.5°
C31	C30	H42	127.5°	126.9°
C31	N8	N9	109.3°	108.9°
H21	C18	H20	109.5°	110.8°
H24	C20	H23	109.5°	110.4°
H11	C11	H10	109.5°	109.5°
H13	C12	H12	109.5°	109.5°
C	OXT	HXT	109.5°	117.0°
C10	O1	H1	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	C18	C19	H21	119.8°	118.4°
CA	C18	C19	H20	119.8°	118.3°
C18	CA	C	N	112.9°	117.8°
C18	CA	C	HA	123.9°	121.1°
C18	CA	N	HA	119.2°	119.5°
C18	CA	C	O	93.8°	100.0°
CA	C18	C19	C20	21.2°	35.6°
CA	C18	C19	N5	141.7°	153.8°
C18	CA	N	C20	15.8°	1.0°
CA	C18	H21	H20	120.4°	123.2°
CA	C18	C19	H22	95.2°	82.4°
C18	CA	C	OXT	87.2°	80.0°
C18	CA	N	H	104.5°	121.3°
C19	C18	CA	C	120.2°	141.7°
C19	C18	CA	N	4.2°	22.3°
C18	C19	C20	N5	122.7°	118.1°
C18	C19	C20	H22	116.4°	118.1°
C18	C19	N5	H22	123.0°	123.9°
C18	C19	C20	N	29.7°	37.1°
C18	C19	N5	C30	70.6°	85.0°
C18	C19	N5	N9	104.8°	94.7°
C19	C18	H21	H20	120.5°	123.2°
C19	C18	CA	HA	115.7°	97.3°
C18	C19	C20	H24	89.4°	81.8°
C18	C19	C20	H23	148.8°	155.9°
C	CA	N	HA	122.6°	121.1°
CA	C	O	OXT	179.0°	180.0°
C	CA	N	C20	102.4°	118.4°
C	CA	C18	H21	0.4°	23.3°
C	CA	C18	H20	119.9°	100.0°
CA	C	OXT	HXT	179.0°	179.9°
C	CA	N	H	137.3°	119.3°
N	CA	C	O	19.1°	17.8°
CA	N	C20	C19	29.4°	24.1°
CA	N	C20	H	120.3°	122.3°
N	CA	C18	H21	115.6°	96.1°
N	CA	C18	H20	124.1°	140.6°
CA	N	C20	H24	89.7°	94.7°
CA	N	C20	H23	148.4°	142.9°
N	CA	C	OXT	159.9°	162.2°
O	C	CA	HA	142.3°	138.9°
O	C	OXT	HXT	0.0°	0.0°
C20	C19	N5	H22	120.7°	123.9°
C19	C20	N	H24	119.1°	118.8°
C19	C20	N	H23	119.1°	118.8°
C20	C19	N5	C30	173.1°	27.3°
C20	C19	N5	N9	11.5°	153.0°
C20	C19	C18	H21	98.7°	82.8°
C20	C19	C18	H20	141.0°	154.0°
C19	C20	H24	H23	122.6°	122.3°
C19	C20	N	H	90.9°	98.2°
N5	C19	C20	N	152.4°	155.2°
C19	N5	C30	N9	175.8°	179.7°
C19	N5	C30	C31	173.5°	180.0°
C19	N5	N9	N8	174.6°	179.8°
N5	C19	C18	H21	21.8°	35.4°
N5	C19	C18	H20	98.5°	87.9°
N5	C19	C20	H24	33.4°	36.3°
N5	C19	C20	H23	88.5°	86.0°
C19	N5	C30	H42	6.5°	0.1°
C20	N	CA	HA	135.0°	120.5°
N	C20	C19	H22	86.7°	81.0°
N	C20	H24	H23	122.6°	122.3°
C10	C11	C12	H11	120.4°	120.1°
C10	C11	C12	H10	120.4°	119.9°
C10	C11	C12	C31	60.0°	180.0°
C11	C10	O3	O1	179.1°	180.0°
C10	C11	H11	H10	118.8°	120.0°
C10	C11	C12	H13	59.7°	60.1°
C10	C11	C12	H12	179.7°	60.0°
C11	C10	O1	H1	179.2°	180.0°
C11	C12	C31	H13	119.7°	120.0°
C11	C12	C31	H12	119.7°	120.0°
C12	C11	C10	O3	48.9°	0.0°
C11	C12	C31	C30	42.7°	125.0°
C11	C12	C31	N8	128.5°	55.1°
C12	C11	H11	H10	118.7°	120.0°
C11	C12	H13	H12	120.9°	120.1°
C12	C11	C10	O1	130.3°	180.0°
C12	C31	C30	N5	170.0°	179.9°
C12	C31	C30	N8	172.1°	180.0°
C12	C31	N8	N9	171.9°	179.8°
C31	C12	C11	H11	179.6°	60.0°
C31	C12	C11	H10	60.4°	60.1°
C31	C12	H13	H12	120.9°	120.0°
C12	C31	C30	H42	9.9°	0.0°
O3	C10	C11	H11	71.5°	120.1°
O3	C10	C11	H10	169.3°	120.0°
O3	C10	O1	H1	0.0°	0.0°
N5	C30	C31	H42	180.0°	179.9°
N5	C30	C31	N8	2.1°	0.0°
C30	N5	N9	N8	1.6°	0.4°
C30	N5	C19	H22	52.4°	151.1°
N9	N5	C30	C31	2.2°	0.3°
N5	N9	N8	C31	0.2°	0.4°
N9	N5	C19	H22	132.2°	29.2°
N9	N5	C30	H42	177.8°	179.8°
C30	C31	N8	N9	1.2°	0.2°
C30	C31	C12	H13	162.4°	5.0°
C30	C31	C12	H12	77.0°	115.0°
N8	C31	C12	H13	8.8°	175.0°
N8	C31	C12	H12	111.8°	64.9°
N8	C31	C30	H42	178.0°	180.0°
H21	C18	CA	HA	124.4°	144.4°
H21	C18	C19	H22	144.9°	159.2°
H20	C18	CA	HA	4.1°	21.1°
H20	C18	C19	H22	24.6°	35.9°
HA	CA	C	OXT	36.7°	41.1°
HA	CA	N	H	14.7°	1.8°
H22	C19	C20	H24	154.2°	160.1°
H22	C19	C20	H23	32.4°	37.8°
H24	C20	N	H	150.0°	143.0°
H23	C20	N	H	28.2°	20.7°
H11	C11	C12	H13	60.7°	60.0°
H11	C11	C12	H12	59.9°	179.9°
H11	C11	C10	O1	109.3°	59.9°
H10	C11	C12	H13	179.9°	180.0°
H10	C11	C12	H12	59.3°	59.9°
H10	C11	C10	O1	9.9°	60.0°

Release date:	2015-03-04
Definition date:	2014-11-12
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	4WVU