3WU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	doub	1.21Å	1.23Å
C	C6	sing	1.51Å	1.56Å
C3	C4	sing	1.55Å	1.51Å
C3	CA	sing	1.55Å	1.53Å
C6	C7	sing	1.53Å	1.53Å
C6	C5	sing	1.53Å	1.56Å
C4	C1	sing	1.54Å	1.52Å
C9	O1	sing	1.43Å	1.44Å
CA	C5	sing	1.53Å	1.53Å
CA	N	sing	1.48Å	1.47Å
C5	O1	sing	1.43Å	1.43Å
C1	N	sing	1.47Å	1.47Å
C4	H13	sing	1.09Å	1.10Å
C4	H14	sing	1.09Å	1.10Å
C7	H16	sing	1.09Å	1.10Å
C7	H17	sing	1.09Å	1.10Å
C7	H18	sing	1.09Å	1.10Å
C6	H19	sing	1.09Å	1.10Å
C9	H20	sing	1.09Å	1.10Å
C9	H21	sing	1.09Å	1.10Å
C9	H22	sing	1.09Å	1.10Å
CA	HA	sing	1.09Å	1.10Å
C3	H33	sing	1.09Å	1.10Å
C3	H34	sing	1.09Å	1.10Å
C1	H35	sing	1.09Å	1.10Å
C1	H36	sing	1.09Å	1.10Å
C5	H37	sing	1.09Å	1.10Å
C	OXT	sing	1.34Å	1.34Å
OXT	HXT	sing	0.97Å	0.95Å
N	H	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C6	124.5°	120.0°
O	C	OXT	123.6°	120.0°
C	C6	C7	106.9°	109.5°
C	C6	C5	112.7°	109.5°
C	C6	H19	107.2°	109.4°
C6	C	OXT	111.9°	120.0°
C4	C3	CA	104.6°	101.7°
C3	C4	C1	107.7°	103.0°
C3	C4	H13	109.9°	110.7°
C3	C4	H14	109.9°	110.8°
C4	C3	H33	110.6°	111.0°
C4	C3	H34	110.6°	111.0°
C3	CA	C5	120.7°	110.4°
C3	CA	N	102.9°	104.8°
C3	CA	HA	104.7°	110.4°
CA	C3	H33	110.7°	111.0°
CA	C3	H34	110.7°	111.0°
C7	C6	C5	114.8°	109.5°
C6	C7	H16	109.5°	109.5°
C6	C7	H17	109.5°	109.5°
C6	C7	H18	109.5°	109.5°
C7	C6	H19	107.6°	109.5°
C6	C5	CA	116.8°	109.5°
C6	C5	O1	112.9°	109.4°
C5	C6	H19	107.3°	109.5°
C6	C5	H37	102.1°	109.5°
C4	C1	N	104.0°	107.3°
C1	C4	H13	109.9°	110.7°
C1	C4	H14	109.9°	110.7°
C4	C1	H35	110.8°	109.9°
C4	C1	H36	110.8°	110.0°
C9	O1	C5	117.1°	114.0°
O1	C9	H20	109.5°	109.4°
O1	C9	H21	109.5°	109.5°
O1	C9	H22	109.5°	109.5°
C5	CA	N	117.0°	110.4°
CA	C5	O1	116.6°	109.5°
C5	CA	HA	104.7°	110.4°
CA	C5	H37	102.3°	109.5°
CA	N	C1	112.0°	108.6°
N	CA	HA	105.3°	110.4°
CA	N	H	108.8°	110.9°
O1	C5	H37	103.2°	109.5°
N	C1	H35	110.8°	109.8°
N	C1	H36	110.8°	109.9°
C1	N	H	108.8°	111.0°
H13	C4	H14	109.5°	110.6°
H16	C7	H17	109.5°	109.5°
H16	C7	H18	109.5°	109.5°
H17	C7	H18	109.5°	109.4°
H20	C9	H21	109.4°	109.4°
H20	C9	H22	109.5°	109.5°
H21	C9	H22	109.5°	109.5°
H33	C3	H34	109.5°	110.9°
H35	C1	H36	109.5°	110.0°
C	OXT	HXT	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C6	OXT	179.7°	180.0°
O	C	C6	C7	55.4°	139.9°
O	C	C6	C5	71.6°	19.9°
O	C	C6	H19	170.5°	100.1°
O	C	OXT	HXT	0.0°	0.0°
C	C6	C7	C5	125.8°	120.0°
C	C6	C7	H19	114.9°	119.9°
C	C6	C5	H19	117.8°	120.0°
C	C6	C5	CA	32.6°	53.7°
C	C6	C5	O1	171.9°	66.3°
C	C6	C7	H16	180.0°	166.9°
C	C6	C7	H17	60.0°	46.9°
C	C6	C7	H18	60.0°	73.1°
C	C6	C5	H37	78.0°	173.7°
C6	C	OXT	HXT	179.7°	180.0°
C4	C3	CA	H33	119.2°	118.1°
C4	C3	CA	H34	119.2°	118.1°
C3	C4	C1	H13	119.7°	118.4°
C3	C4	C1	H14	119.7°	118.6°
C4	C3	CA	C5	103.3°	155.9°
C4	C3	CA	N	29.5°	37.1°
C3	C4	C1	N	8.9°	22.3°
C3	C4	H13	H14	120.9°	123.2°
C4	C3	CA	HA	139.3°	81.8°
C4	C3	H33	H34	122.2°	123.9°
C3	C4	C1	H35	128.0°	97.1°
C3	C4	C1	H36	110.2°	141.7°
C3	CA	C5	C6	72.6°	178.9°
CA	C3	C4	C1	24.1°	35.6°
C3	CA	C5	N	126.5°	115.3°
C3	CA	C5	HA	117.4°	122.4°
C3	CA	N	HA	109.4°	118.9°
C3	CA	C5	O1	65.2°	58.9°
C3	CA	N	C1	25.5°	24.1°
CA	C3	C4	H13	95.6°	154.0°
CA	C3	C4	H14	143.9°	82.8°
CA	C3	H33	H34	122.3°	123.8°
C3	CA	C5	H37	176.9°	61.1°
C3	CA	N	H	94.9°	146.3°
C7	C6	C5	H19	119.5°	120.0°
C7	C6	C5	CA	155.3°	66.3°
C7	C6	C5	O1	65.4°	173.7°
C6	C7	H16	H17	120.0°	120.0°
C6	C7	H16	H18	120.0°	120.0°
C6	C7	H17	H18	120.0°	120.0°
C7	C6	C5	H37	44.7°	53.7°
C7	C6	C	OXT	124.4°	40.1°
C6	C5	O1	C9	46.5°	91.6°
C6	C5	CA	O1	137.8°	120.0°
C6	C5	CA	H37	110.5°	120.0°
C6	C5	CA	N	160.9°	65.8°
C6	C5	O1	H37	109.4°	120.0°
C5	C6	C7	H16	54.2°	46.9°
C5	C6	C7	H17	65.8°	73.1°
C5	C6	C7	H18	174.2°	166.9°
C6	C5	CA	HA	44.8°	56.5°
C5	C6	C	OXT	108.6°	160.1°
C4	C1	N	CA	10.7°	1.0°
C4	C1	N	H35	119.1°	119.4°
C4	C1	N	H36	119.1°	119.5°
C1	C4	H13	H14	120.8°	123.1°
C1	C4	C3	H33	95.1°	153.7°
C1	C4	C3	H34	143.4°	82.4°
C4	C1	H35	H36	122.5°	121.2°
C4	C1	N	H	109.6°	123.2°
C9	O1	C5	CA	92.9°	148.4°
O1	C9	H20	H21	120.0°	120.0°
O1	C9	H20	H22	120.0°	120.0°
O1	C9	H21	H22	120.0°	120.0°
C9	O1	C5	H37	155.9°	28.4°
C5	CA	N	HA	115.7°	122.3°
CA	C5	O1	H37	111.2°	120.0°
C5	CA	N	C1	109.3°	142.9°
CA	C5	C6	H19	85.2°	173.7°
C5	CA	C3	H33	137.5°	86.0°
C5	CA	C3	H34	15.9°	37.8°
C5	CA	N	H	130.3°	94.8°
N	CA	C5	O1	61.3°	174.2°
CA	N	C1	H	120.4°	122.2°
N	CA	C3	H33	89.7°	155.2°
N	CA	C3	H34	148.7°	81.0°
CA	N	C1	H35	108.4°	120.5°
CA	N	C1	H36	129.9°	118.5°
N	CA	C5	H37	50.4°	54.2°
O1	C5	C6	H19	54.1°	53.7°
C5	O1	C9	H20	180.0°	176.7°
C5	O1	C9	H21	60.0°	63.4°
C5	O1	C9	H22	60.0°	56.7°
O1	C5	CA	HA	177.4°	63.5°
N	C1	C4	H13	110.8°	140.6°
N	C1	C4	H14	128.7°	96.3°
C1	N	CA	HA	134.9°	94.8°
N	C1	H35	H36	122.5°	121.0°
H13	C4	C3	H33	145.2°	87.9°
H13	C4	C3	H34	23.7°	36.0°
H13	C4	C1	H35	8.3°	21.2°
H13	C4	C1	H36	130.1°	99.9°
H14	C4	C3	H33	24.7°	35.2°
H14	C4	C3	H34	96.9°	159.1°
H14	C4	C1	H35	112.2°	144.3°
H14	C4	C1	H36	9.5°	23.1°
H16	C7	H17	H18	120.0°	120.0°
H16	C7	C6	H19	65.1°	73.2°
H17	C7	C6	H19	174.9°	166.8°
H18	C7	C6	H19	54.9°	46.8°
H19	C6	C5	H37	164.2°	66.3°
H19	C6	C	OXT	9.2°	79.9°
H20	C9	H21	H22	120.0°	120.0°
HA	CA	C3	H33	20.1°	36.3°
HA	CA	C3	H34	101.5°	160.1°
HA	CA	C5	H37	65.7°	176.5°
HA	CA	N	H	14.5°	27.5°
H35	C1	N	H	131.3°	117.4°
H36	C1	N	H	9.5°	3.7°

Release date:	2015-03-25
Definition date:	2014-12-01
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	4X1Y