CYR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.34Å	1.23Å
O1	HO1	sing	0.97Å	0.95Å
C1	O2	doub	1.21Å	1.23Å
C1	C2	sing	1.51Å	1.53Å
C2	N2	sing	1.47Å	1.47Å
C2	C3	sing	1.53Å	1.53Å
C2	HC2	sing	1.09Å	1.10Å
N2	HN21	sing	1.01Å	1.00Å
N2	HN22	sing	1.01Å	1.00Å
C3	C4	sing	1.53Å	1.53Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.53Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C5	N6	sing	1.47Å	1.47Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
N6	C7	sing	1.38Å	1.47Å
N6	HN6	sing	0.97Å	1.00Å
C7	N7	doub	1.30Å	1.47Å
C7	SG	sing	1.76Å	1.83Å
N7	HN71	sing	0.97Å	1.00Å
N7	HN72	sing	0.97Å	1.00Å
SG	CB	sing	1.81Å	1.83Å
CB	CA	sing	1.53Å	1.53Å
CB	HB3	sing	1.09Å	1.10Å
CB	HB2	sing	1.09Å	1.10Å
CA	C	sing	1.51Å	1.51Å
CA	N	sing	1.47Å	1.46Å
CA	HA	sing	1.09Å	1.10Å
C	O	doub	1.21Å	1.23Å
C	OXT	sing	1.34Å	1.33Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O1	HO1	109.5°	120.0°
O1	C1	O2	119.5°	120.0°
O1	C1	C2	119.8°	120.0°
O2	C1	C2	120.7°	120.0°
C1	C2	N2	108.8°	109.5°
C1	C2	C3	109.4°	109.5°
C1	C2	HC2	110.3°	109.5°
N2	C2	C3	110.3°	109.5°
N2	C2	HC2	109.4°	109.4°
C2	N2	HN21	109.5°	106.7°
C2	N2	HN22	109.5°	106.8°
C3	C2	HC2	108.7°	109.5°
C2	C3	C4	110.3°	109.5°
C2	C3	H31	109.0°	109.4°
C2	C3	H32	109.2°	109.4°
HN21	N2	HN22	109.5°	106.7°
C4	C3	H31	109.0°	109.5°
C4	C3	H32	109.2°	109.5°
C3	C4	C5	111.8°	109.5°
C3	C4	H41	108.2°	109.5°
C3	C4	H42	108.7°	109.5°
H31	C3	H32	110.2°	109.5°
C5	C4	H41	108.2°	109.4°
C5	C4	H42	108.7°	109.4°
C4	C5	N6	108.6°	109.5°
C4	C5	H51	109.9°	109.5°
C4	C5	H52	109.8°	109.5°
H41	C4	H42	111.3°	109.5°
N6	C5	H51	109.9°	109.5°
N6	C5	H52	109.7°	109.4°
C5	N6	C7	110.3°	120.0°
C5	N6	HN6	124.8°	120.0°
H51	C5	H52	108.8°	109.5°
C7	N6	HN6	124.9°	120.0°
N6	C7	N7	109.5°	120.0°
N6	C7	SG	113.5°	120.0°
N7	C7	SG	110.6°	120.0°
C7	N7	HN71	127.1°	119.9°
C7	N7	HN72	105.8°	120.0°
C7	SG	CB	105.3°	100.0°
HN71	N7	HN72	127.1°	120.0°
SG	CB	CA	113.6°	109.5°
SG	CB	HB3	107.2°	109.5°
SG	CB	HB2	108.1°	109.5°
CA	CB	HB3	107.2°	109.5°
CA	CB	HB2	108.1°	109.5°
CB	CA	C	107.9°	109.5°
CB	CA	N	111.3°	109.5°
CB	CA	HA	110.3°	109.5°
HB3	CB	HB2	112.7°	109.5°
C	CA	N	112.1°	109.5°
C	CA	HA	109.4°	109.4°
CA	C	O	120.7°	120.0°
CA	C	OXT	115.4°	120.0°
N	CA	HA	105.9°	109.5°
CA	N	H	109.5°	106.7°
CA	N	H2	109.5°	106.7°
O	C	OXT	123.8°	120.0°
C	OXT	HXT	109.5°	120.0°
H	N	H2	109.4°	106.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	180.0°	180.0°
O1	C1	C2	N2	145.5°	160.0°
O1	C1	C2	C3	93.9°	80.0°
O1	C1	C2	HC2	25.6°	40.0°
HO1	O1	C1	O2	0.0°	0.1°
HO1	O1	C1	C2	180.0°	180.0°
O2	C1	C2	N2	34.4°	20.0°
O2	C1	C2	C3	86.1°	100.0°
O2	C1	C2	HC2	154.4°	140.0°
C1	C2	N2	C3	120.0°	120.0°
C1	C2	N2	HC2	120.5°	120.0°
C1	C2	C3	HC2	120.5°	120.0°
C1	C2	N2	HN21	142.6°	60.0°
C1	C2	N2	HN22	97.4°	173.8°
C1	C2	C3	C4	71.5°	175.0°
C1	C2	C3	H31	48.2°	65.0°
C1	C2	C3	H32	168.6°	55.0°
N2	C2	C3	HC2	119.9°	120.0°
C2	N2	HN21	HN22	120.0°	113.9°
N2	C2	C3	C4	168.9°	65.0°
N2	C2	C3	H31	71.5°	55.0°
N2	C2	C3	H32	48.9°	175.0°
C3	C2	N2	HN21	97.4°	60.0°
C3	C2	N2	HN22	22.6°	53.8°
C2	C3	C4	H31	119.6°	120.0°
C2	C3	C4	H32	120.0°	120.0°
C2	C3	H31	H32	119.8°	119.9°
C2	C3	C4	C5	177.7°	180.0°
C2	C3	C4	H41	58.7°	60.0°
C2	C3	C4	H42	62.3°	60.0°
HC2	C2	N2	HN21	22.1°	180.0°
HC2	C2	N2	HN22	142.1°	66.2°
HC2	C2	C3	C4	49.0°	55.0°
HC2	C2	C3	H31	168.7°	175.0°
HC2	C2	C3	H32	71.0°	65.1°
C4	C3	H31	H32	119.8°	120.1°
C3	C4	C5	H41	119.0°	120.0°
C3	C4	C5	H42	120.0°	120.0°
C3	C4	H41	H42	119.4°	120.1°
C3	C4	C5	N6	174.1°	180.0°
C3	C4	C5	H51	65.5°	60.0°
C3	C4	C5	H52	54.1°	60.0°
H31	C3	C4	C5	62.7°	60.0°
H31	C3	C4	H41	178.3°	180.0°
H31	C3	C4	H42	57.3°	60.0°
H32	C3	C4	C5	57.7°	60.0°
H32	C3	C4	H41	61.3°	60.0°
H32	C3	C4	H42	177.7°	180.0°
C5	C4	H41	H42	119.4°	119.9°
C4	C5	N6	H51	120.3°	120.0°
C4	C5	N6	H52	120.0°	120.0°
C4	C5	H51	H52	120.2°	120.0°
C4	C5	N6	C7	175.2°	180.0°
C4	C5	N6	HN6	4.8°	0.0°
H41	C4	C5	N6	55.1°	60.0°
H41	C4	C5	H51	175.4°	180.0°
H41	C4	C5	H52	64.9°	60.0°
H42	C4	C5	N6	65.9°	60.0°
H42	C4	C5	H51	54.5°	60.0°
H42	C4	C5	H52	174.1°	180.0°
N6	C5	H51	H52	120.2°	119.9°
C5	N6	C7	HN6	180.0°	179.9°
C5	N6	C7	N7	175.3°	0.0°
C5	N6	C7	SG	60.7°	180.0°
H51	C5	N6	C7	54.9°	60.0°
H51	C5	N6	HN6	125.1°	120.0°
H52	C5	N6	C7	64.7°	60.0°
H52	C5	N6	HN6	115.2°	120.0°
N6	C7	N7	SG	125.8°	180.0°
N6	C7	N7	HN71	0.0°	180.0°
N6	C7	N7	HN72	180.0°	0.1°
N6	C7	SG	CB	47.2°	180.0°
HN6	N6	C7	N7	4.8°	180.0°
HN6	N6	C7	SG	119.3°	0.1°
C7	N7	HN71	HN72	180.0°	179.9°
N7	C7	SG	CB	76.3°	0.0°
SG	C7	N7	HN71	125.8°	0.0°
SG	C7	N7	HN72	54.2°	180.0°
C7	SG	CB	CA	85.0°	180.0°
C7	SG	CB	HB3	156.8°	60.0°
C7	SG	CB	HB2	35.0°	60.0°
SG	CB	CA	HB3	118.2°	120.0°
SG	CB	CA	HB2	120.0°	120.0°
SG	CB	HB3	HB2	118.9°	120.0°
SG	CB	CA	C	170.1°	180.0°
SG	CB	CA	N	66.6°	60.0°
SG	CB	CA	HA	50.6°	60.0°
CA	CB	HB3	HB2	118.9°	120.0°
CB	CA	C	N	122.8°	120.0°
CB	CA	C	HA	120.0°	120.0°
CB	CA	N	HA	119.8°	120.0°
CB	CA	C	O	86.3°	99.9°
CB	CA	C	OXT	92.3°	80.0°
CB	CA	N	H	10.6°	173.7°
CB	CA	N	H2	130.6°	60.0°
HB3	CB	CA	C	71.7°	60.0°
HB3	CB	CA	N	51.6°	180.0°
HB3	CB	CA	HA	168.9°	60.0°
HB2	CB	CA	C	50.1°	60.0°
HB2	CB	CA	N	173.4°	60.0°
HB2	CB	CA	HA	69.4°	180.0°
C	CA	N	HA	119.3°	120.0°
CA	C	O	OXT	178.5°	179.9°
C	CA	N	H	110.3°	53.7°
C	CA	N	H2	9.7°	60.0°
CA	C	OXT	HXT	178.5°	179.9°
N	CA	C	O	150.9°	20.1°
N	CA	C	OXT	30.5°	160.0°
CA	N	H	H2	120.0°	113.7°
HA	CA	C	O	33.7°	140.1°
HA	CA	C	OXT	147.7°	40.0°
HA	CA	N	H	130.4°	66.3°
HA	CA	N	H2	109.6°	180.0°
O	C	OXT	HXT	0.0°	0.0°

Definition date:	2005-08-04
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	2AAF