U1K

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C2	sing	1.34Å	1.26Å
O1	HO1	sing	0.97Å	0.95Å
C2	O3	doub	1.21Å	1.25Å
C2	C4	sing	1.51Å	1.52Å
C4	C5	sing	1.53Å	1.55Å
C4	N16	sing	1.47Å	1.50Å
C4	H4	sing	1.09Å	1.12Å
C5	C6	sing	1.51Å	1.53Å
C5	H51	sing	1.09Å	1.12Å
C5	H52	sing	1.09Å	1.11Å
C6	C7	doub	1.36Å	1.38Å	Aromatic
C6	C10	sing	1.38Å	1.47Å	Aromatic
C7	S8	sing	1.73Å	1.77Å	Aromatic
C7	C12	sing	1.51Å	1.55Å
S8	N9	sing	1.71Å	1.69Å	Aromatic
N9	C10	doub	1.31Å	1.34Å	Aromatic
C10	O11	sing	1.36Å	1.27Å
C12	C13	sing	1.53Å	1.53Å
C12	C14	sing	1.53Å	1.52Å
C12	C15	sing	1.53Å	1.52Å
C13	H131	sing	1.09Å	1.11Å
C13	H132	sing	1.09Å	1.12Å
C13	H133	sing	1.09Å	1.12Å
C14	H141	sing	1.09Å	1.11Å
C14	H142	sing	1.09Å	1.11Å
C14	H143	sing	1.09Å	1.12Å
C15	H151	sing	1.09Å	1.11Å
C15	H152	sing	1.09Å	1.12Å
C15	H153	sing	1.09Å	1.12Å
N16	H161	sing	1.01Å	1.02Å
N16	H162	sing	1.01Å	1.02Å
N16	H163	sing	1.01Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	O1	HO1	124.8°	120.0°
O1	C2	O3	124.8°	120.0°
O1	C2	C4	119.1°	120.0°
O3	C2	C4	116.1°	120.0°
C2	C4	C5	113.4°	109.5°
C2	C4	N16	108.9°	109.5°
C2	C4	H4	106.9°	109.4°
C5	C4	N16	108.5°	109.5°
C5	C4	H4	107.3°	109.5°
C4	C5	C6	114.1°	109.5°
C4	C5	H51	110.5°	109.5°
C4	C5	H52	110.5°	109.4°
N16	C4	H4	111.9°	109.5°
C4	N16	H161	108.9°	109.5°
C4	N16	H162	112.4°	109.4°
C4	N16	H163	112.4°	109.5°
C6	C5	H51	110.5°	109.4°
C6	C5	H52	110.5°	109.4°
C5	C6	C7	135.2°	121.8°
C5	C6	C10	113.4°	121.8°
H51	C5	H52	99.8°	109.5°
C7	C6	C10	111.3°	116.5°
C6	C7	S8	108.3°	102.2°
C6	C7	C12	135.4°	128.9°
C6	C10	N9	115.5°	118.7°
C6	C10	O11	122.6°	120.7°
S8	C7	C12	116.2°	128.9°
C7	S8	N9	94.8°	99.1°
C7	C12	C13	112.5°	109.5°
C7	C12	C14	108.0°	109.5°
C7	C12	C15	111.5°	109.5°
S8	N9	C10	110.0°	103.5°
N9	C10	O11	121.8°	120.6°
C13	C12	C14	108.7°	109.4°
C13	C12	C15	107.3°	109.5°
C12	C13	H131	112.5°	109.4°
C12	C13	H132	111.1°	109.4°
C12	C13	H133	111.1°	109.4°
C14	C12	C15	108.9°	109.5°
C12	C14	H141	107.9°	109.5°
C12	C14	H142	112.7°	109.5°
C12	C14	H143	112.7°	109.5°
C12	C15	H151	111.5°	109.4°
C12	C15	H152	111.4°	109.5°
C12	C15	H153	111.5°	109.5°
H131	C13	H132	111.1°	109.5°
H131	C13	H133	111.1°	109.5°
H132	C13	H133	99.2°	109.5°
H141	C14	H142	112.9°	109.4°
H141	C14	H143	112.8°	109.5°
H142	C14	H143	97.7°	109.5°
H151	C15	H152	111.5°	109.5°
H151	C15	H153	111.6°	109.5°
H152	C15	H153	98.9°	109.5°
H161	N16	H162	112.4°	109.5°
H161	N16	H163	112.4°	109.5°
H162	N16	H163	98.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	O3	C4	179.5°	180.0°
O1	C2	C4	C5	121.4°	80.0°
O1	C2	C4	N16	0.4°	160.0°
O1	C2	C4	H4	120.6°	40.0°
HO1	O1	C2	O3	180.0°	0.0°
HO1	O1	C2	C4	0.5°	180.0°
O3	C2	C4	C5	59.1°	100.1°
O3	C2	C4	N16	180.0°	20.0°
O3	C2	C4	H4	58.9°	140.0°
C2	C4	C5	N16	121.2°	120.1°
C2	C4	C5	H4	117.8°	119.9°
C2	C4	N16	H4	118.0°	120.0°
C2	C4	C5	C6	175.2°	174.2°
C2	C4	C5	H51	59.5°	54.2°
C2	C4	C5	H52	50.0°	65.9°
C2	C4	N16	H161	180.0°	180.0°
C2	C4	N16	H162	54.7°	60.0°
C2	C4	N16	H163	54.7°	59.9°
C5	C4	N16	H4	118.1°	120.0°
C4	C5	C6	H51	125.2°	120.1°
C4	C5	C6	H52	125.3°	120.0°
C4	C5	H51	H52	116.3°	120.0°
C4	C5	C6	C7	104.9°	95.5°
C4	C5	C6	C10	75.7°	85.0°
C5	C4	N16	H161	56.1°	60.0°
C5	C4	N16	H162	178.6°	180.0°
C5	C4	N16	H163	69.2°	60.1°
N16	C4	C5	C6	63.6°	65.8°
N16	C4	C5	H51	61.6°	174.2°
N16	C4	C5	H52	171.1°	54.2°
C4	N16	H161	H162	125.3°	119.9°
C4	N16	H161	H163	125.3°	120.1°
C4	N16	H162	H163	118.3°	120.0°
H4	C4	C5	C6	57.4°	54.3°
H4	C4	C5	H51	177.3°	65.8°
H4	C4	C5	H52	67.8°	174.2°
H4	C4	N16	H161	62.0°	60.0°
H4	C4	N16	H162	63.2°	60.0°
H4	C4	N16	H163	172.7°	179.9°
C6	C5	H51	H52	116.4°	120.0°
C5	C6	C7	C10	179.5°	179.5°
C5	C6	C7	S8	179.7°	179.9°
C5	C6	C7	C12	0.4°	0.4°
C5	C6	C10	N9	179.8°	180.0°
C5	C6	C10	O11	0.1°	0.2°
H51	C5	C6	C7	20.4°	24.5°
H51	C5	C6	C10	159.1°	154.9°
H52	C5	C6	C7	129.9°	144.5°
H52	C5	C6	C10	49.6°	35.0°
C6	C7	S8	C12	179.5°	179.7°
C6	C7	S8	N9	0.2°	0.3°
C7	C6	C10	N9	0.2°	0.5°
C7	C6	C10	O11	179.7°	179.8°
C6	C7	C12	C13	163.5°	53.3°
C6	C7	C12	C14	76.6°	66.6°
C6	C7	C12	C15	42.9°	173.4°
C10	C6	C7	S8	0.2°	0.4°
C10	C6	C7	C12	179.1°	179.9°
C6	C10	N9	S8	0.0°	0.2°
C6	C10	N9	O11	179.9°	179.8°
C7	S8	N9	C10	0.1°	0.0°
S8	C7	C12	C13	17.3°	126.3°
S8	C7	C12	C14	102.6°	113.8°
S8	C7	C12	C15	137.8°	6.2°
C12	C7	S8	N9	179.3°	180.0°
C7	C12	C13	C14	119.5°	120.0°
C7	C12	C13	C15	122.9°	120.1°
C7	C12	C14	C15	121.2°	120.0°
C7	C12	C13	H131	180.0°	67.6°
C7	C12	C13	H132	54.7°	52.5°
C7	C12	C13	H133	54.7°	172.4°
C7	C12	C14	H141	180.0°	173.8°
C7	C12	C14	H142	54.7°	53.8°
C7	C12	C14	H143	54.8°	66.2°
C7	C12	C15	H151	180.0°	60.0°
C7	C12	C15	H152	54.7°	59.9°
C7	C12	C15	H153	54.7°	180.0°
S8	N9	C10	O11	179.9°	180.0°
C13	C12	C14	C15	116.5°	120.0°
C12	C13	H131	H132	125.3°	120.0°
C12	C13	H131	H133	125.3°	120.0°
C12	C13	H132	H133	117.0°	119.9°
C13	C12	C14	H141	57.7°	66.2°
C13	C12	C14	H142	177.0°	173.8°
C13	C12	C14	H143	67.5°	53.8°
C13	C12	C15	H151	56.4°	60.1°
C13	C12	C15	H152	68.8°	180.0°
C13	C12	C15	H153	178.3°	60.0°
C14	C12	C13	H131	60.5°	52.4°
C14	C12	C13	H132	64.8°	172.4°
C14	C12	C13	H133	174.2°	67.6°
C12	C14	H141	H142	125.3°	120.0°
C12	C14	H141	H143	125.2°	120.1°
C12	C14	H142	H143	118.7°	120.1°
C14	C12	C15	H151	61.0°	180.0°
C14	C12	C15	H152	173.7°	60.1°
C14	C12	C15	H153	64.3°	60.0°
C15	C12	C13	H131	57.1°	172.4°
C15	C12	C13	H132	177.6°	67.6°
C15	C12	C13	H133	68.2°	52.4°
C15	C12	C14	H141	58.9°	53.8°
C15	C12	C14	H142	66.5°	66.2°
C15	C12	C14	H143	175.9°	173.8°
C12	C15	H151	H152	125.2°	119.9°
C12	C15	H151	H153	125.3°	120.0°
C12	C15	H152	H153	117.3°	120.1°
H131	C13	H132	H133	116.9°	120.1°
H141	C14	H142	H143	118.7°	119.9°
H151	C15	H152	H153	117.5°	120.0°
H161	N16	H162	H163	118.3°	120.1°

Definition date:	2003-08-05
Last modified:	2021-03-01
Release status:	REL
Processing site:	PDBJ
Derived from:	2AIX