7KU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.52Å
C2	C3	sing	1.51Å	1.51Å
C4	N1	sing	1.47Å	1.47Å
C4	C5	sing	1.53Å	1.52Å
N1	C3	sing	1.35Å	1.36Å
N1	C8	sing	1.47Å	1.46Å
C3	O1	doub	1.21Å	1.22Å
C8	C7	sing	1.53Å	1.52Å
C5	C6	sing	1.53Å	1.53Å
C6	C7	sing	1.53Å	1.53Å
C7	N2	sing	1.47Å	1.46Å
N2	C9	sing	1.38Å	1.35Å
C11	C12	doub	1.34Å	1.36Å	Aromatic
C11	C10	sing	1.46Å	1.44Å	Aromatic
C9	C10	doub	1.40Å	1.43Å	Aromatic
C9	N5	sing	1.33Å	1.35Å	Aromatic
C12	N3	sing	1.37Å	1.38Å	Aromatic
C10	C13	sing	1.41Å	1.43Å	Aromatic
N5	C14	doub	1.32Å	1.34Å	Aromatic
N3	C13	sing	1.37Å	1.37Å	Aromatic
C13	N4	doub	1.33Å	1.35Å	Aromatic
C14	N4	sing	1.31Å	1.34Å	Aromatic
N3	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
N2	H4	sing	0.97Å	1.00Å
C7	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C2	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å
C5	H15	sing	1.09Å	1.10Å
C5	H16	sing	1.09Å	1.10Å
C11	H17	sing	1.08Å	1.08Å
C12	H18	sing	1.08Å	1.08Å
C14	H19	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	110.7°	109.5°
C2	C1	H10	109.5°	109.5°
C2	C1	H11	109.4°	109.5°
C2	C1	H12	109.5°	109.4°
C1	C2	H13	109.2°	109.5°
C1	C2	H14	109.1°	109.5°
C2	C3	N1	118.4°	120.0°
C2	C3	O1	119.6°	120.0°
C3	C2	H13	109.2°	109.5°
C3	C2	H14	109.2°	109.4°
N1	C4	C5	109.7°	108.7°
C4	N1	C3	125.5°	120.6°
C4	N1	C8	110.6°	118.7°
N1	C4	H2	109.4°	109.6°
N1	C4	H3	109.4°	109.6°
C4	C5	C6	110.8°	109.3°
C5	C4	H2	109.4°	109.6°
C5	C4	H3	109.4°	109.6°
C4	C5	H15	109.2°	109.5°
C4	C5	H16	109.1°	109.4°
C3	N1	C8	123.9°	120.7°
N1	C3	O1	122.0°	120.0°
N1	C8	C7	110.4°	108.8°
N1	C8	H8	109.2°	109.6°
N1	C8	H9	109.2°	109.7°
C8	C7	C6	110.6°	109.3°
C8	C7	N2	109.8°	109.5°
C8	C7	H5	108.4°	109.5°
C7	C8	H8	109.3°	109.6°
C7	C8	H9	109.2°	109.6°
C5	C6	C7	111.3°	109.5°
C5	C6	H6	109.0°	109.5°
C5	C6	H7	109.0°	109.5°
C6	C5	H15	109.1°	109.6°
C6	C5	H16	109.1°	109.5°
C6	C7	N2	110.2°	109.5°
C6	C7	H5	108.4°	109.5°
C7	C6	H6	109.0°	109.4°
C7	C6	H7	109.0°	109.4°
C7	N2	C9	129.9°	120.0°
C7	N2	H4	104.2°	120.0°
N2	C7	H5	109.3°	109.5°
N2	C9	C10	119.1°	120.9°
N2	C9	N5	117.4°	120.9°
C9	N2	H4	104.2°	120.0°
C12	C11	C10	106.5°	106.8°
C11	C12	N3	110.1°	109.8°
C12	C11	H17	126.8°	126.6°
C11	C12	H18	124.9°	125.1°
C11	C10	C9	140.8°	135.1°
C11	C10	C13	107.0°	106.2°
C10	C11	H17	126.7°	126.6°
C10	C9	N5	123.4°	118.3°
C9	C10	C13	112.3°	118.7°
C9	N5	C14	116.0°	121.1°
C12	N3	C13	109.6°	110.0°
C12	N3	H1	125.2°	125.0°
N3	C12	H18	124.9°	125.1°
C10	C13	N3	106.7°	107.1°
C10	C13	N4	125.8°	118.5°
N5	C14	N4	128.6°	122.7°
N5	C14	H19	115.7°	118.6°
N3	C13	N4	127.4°	134.3°
C13	N3	H1	125.2°	125.0°
C13	N4	C14	113.9°	120.7°
N4	C14	H19	115.7°	118.7°
H2	C4	H3	109.5°	109.7°
H6	C6	H7	109.4°	109.5°
H8	C8	H9	109.5°	109.6°
H10	C1	H11	109.4°	109.5°
H10	C1	H12	109.5°	109.4°
H11	C1	H12	109.5°	109.5°
H13	C2	H14	109.5°	109.4°
H15	C5	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	H13	120.2°	120.1°
C1	C2	C3	H14	120.2°	120.0°
C1	C2	C3	N1	87.5°	180.0°
C1	C2	C3	O1	93.7°	0.0°
C2	C1	H10	H11	120.0°	120.1°
C2	C1	H10	H12	120.0°	120.0°
C2	C1	H11	H12	120.0°	120.0°
C1	C2	H13	H14	119.4°	120.1°
C2	C3	N1	C4	6.6°	0.0°
C2	C3	N1	O1	178.8°	180.0°
C2	C3	N1	C8	172.6°	180.0°
C3	C2	C1	H10	180.0°	60.1°
C3	C2	C1	H11	60.0°	60.0°
C3	C2	C1	H12	60.0°	180.0°
C3	C2	H13	H14	119.5°	119.9°
N1	C4	C5	H2	120.0°	119.8°
N1	C4	C5	H3	120.0°	119.8°
C4	N1	C3	C8	179.2°	180.0°
C4	N1	C3	O1	172.2°	180.0°
C4	N1	C8	C7	62.7°	53.6°
N1	C4	C5	C6	56.7°	54.7°
N1	C4	H2	H3	119.9°	120.4°
C4	N1	C8	H8	57.5°	173.4°
C4	N1	C8	H9	177.2°	66.2°
N1	C4	C5	H15	63.5°	65.4°
N1	C4	C5	H16	176.9°	174.6°
C5	C4	N1	C3	118.1°	126.4°
C5	C4	N1	C8	62.6°	53.6°
C4	C5	C6	H15	120.2°	120.0°
C4	C5	C6	H16	120.2°	119.9°
C4	C5	C6	C7	51.7°	61.4°
C5	C4	H2	H3	119.9°	120.3°
C4	C5	C6	H6	172.0°	58.6°
C4	C5	C6	H7	68.6°	178.6°
C4	C5	H15	H16	119.4°	120.0°
C3	N1	C8	C7	118.0°	126.4°
C3	N1	C4	H2	1.9°	6.7°
C3	N1	C4	H3	121.9°	113.8°
C3	N1	C8	H8	121.8°	6.6°
C3	N1	C8	H9	2.1°	113.8°
N1	C3	C2	H13	152.4°	59.9°
N1	C3	C2	H14	32.7°	60.0°
C8	N1	C3	O1	8.7°	0.0°
N1	C8	C7	H8	120.1°	119.8°
N1	C8	C7	H9	120.1°	120.0°
N1	C8	C7	C6	56.5°	54.7°
N1	C8	C7	N2	178.3°	174.6°
C8	N1	C4	H2	177.3°	173.4°
C8	N1	C4	H3	57.4°	66.1°
N1	C8	C7	H5	62.3°	65.3°
N1	C8	H8	H9	119.5°	120.5°
O1	C3	C2	H13	26.4°	120.1°
O1	C3	C2	H14	146.1°	120.0°
C8	C7	C6	C5	51.3°	61.4°
C8	C7	C6	N2	121.6°	120.0°
C8	C7	C6	H5	118.8°	120.0°
C8	C7	N2	H5	118.9°	120.1°
C8	C7	N2	C9	82.5°	85.1°
C8	C7	N2	H4	154.9°	94.9°
C8	C7	C6	H6	171.6°	58.7°
C8	C7	C6	H7	69.0°	178.6°
C7	C8	H8	H9	119.6°	120.3°
C5	C6	C7	H6	120.3°	120.0°
C5	C6	C7	H7	120.3°	120.0°
C5	C6	C7	N2	172.9°	178.7°
C6	C5	C4	H2	176.7°	174.5°
C6	C5	C4	H3	63.4°	65.1°
C5	C6	C7	H5	67.5°	58.6°
C5	C6	H6	H7	119.2°	120.0°
C6	C5	H15	H16	119.4°	120.1°
C6	C7	N2	H5	119.1°	120.0°
C6	C7	N2	C9	155.5°	155.0°
C6	C7	N2	H4	32.8°	25.0°
C7	C6	H6	H7	119.1°	119.9°
C6	C7	C8	H8	63.6°	174.4°
C6	C7	C8	H9	176.7°	65.3°
C7	C6	C5	H15	68.5°	58.6°
C7	C6	C5	H16	171.9°	178.7°
C7	N2	C9	H4	122.6°	180.0°
C7	N2	C9	C10	180.0°	179.9°
C7	N2	C9	N5	4.5°	0.0°
N2	C7	C6	H6	66.8°	61.3°
N2	C7	C6	H7	52.6°	58.7°
N2	C7	C8	H8	58.2°	65.6°
N2	C7	C8	H9	61.5°	54.6°
N2	C9	C10	C11	6.1°	0.1°
N2	C9	C10	N5	175.2°	179.9°
N2	C9	C10	C13	173.7°	180.0°
N2	C9	N5	C14	174.4°	180.0°
C9	N2	C7	H5	36.4°	35.0°
C12	C11	C10	H17	180.0°	179.6°
C12	C11	C10	C9	179.9°	179.8°
C11	C12	N3	H18	180.0°	179.6°
C12	C11	C10	C13	0.1°	0.3°
C11	C12	N3	C13	0.9°	0.5°
C11	C12	N3	H1	179.1°	179.8°
C11	C10	C9	C13	179.9°	179.9°
C11	C10	C9	N5	178.7°	180.0°
C10	C11	C12	N3	0.6°	0.5°
C11	C10	C13	N3	0.5°	0.0°
C11	C10	C13	N4	178.9°	180.0°
C10	C11	C12	H18	179.4°	180.0°
C10	C9	N5	C14	0.9°	0.1°
C9	C10	C13	N3	179.4°	179.9°
C9	C10	C13	N4	1.2°	0.1°
C10	C9	N2	H4	57.3°	0.0°
C9	C10	C11	H17	0.0°	0.2°
N5	C9	C10	C13	1.5°	0.1°
C9	N5	C14	N4	0.1°	0.1°
N5	C9	N2	H4	127.2°	179.9°
C9	N5	C14	H19	179.9°	180.0°
C12	N3	C13	C10	0.9°	0.3°
C12	N3	C13	H1	180.0°	179.7°
C12	N3	C13	N4	178.5°	179.7°
N3	C12	C11	H17	179.4°	179.9°
C10	C13	N3	N4	179.3°	180.0°
C10	C13	N4	C14	0.4°	0.1°
C10	C13	N3	H1	179.2°	180.0°
C13	C10	C11	H17	179.9°	179.9°
N5	C14	N4	C13	0.4°	0.1°
N5	C14	N4	H19	180.0°	180.0°
N3	C13	N4	C14	179.6°	180.0°
C13	N3	C12	H18	179.1°	180.0°
N4	C13	N3	H1	1.5°	0.0°
C13	N4	C14	H19	179.6°	180.0°
H1	N3	C12	H18	0.9°	0.2°
H2	C4	C5	H15	56.5°	54.4°
H2	C4	C5	H16	63.1°	65.6°
H3	C4	C5	H15	176.4°	174.9°
H3	C4	C5	H16	56.8°	54.8°
H4	N2	C7	H5	86.2°	145.0°
H5	C7	C6	H6	52.8°	178.7°
H5	C7	C6	H7	172.2°	61.4°
H5	C7	C8	H8	177.6°	54.5°
H5	C7	C8	H9	57.8°	174.7°
H6	C6	C5	H15	51.8°	178.6°
H6	C6	C5	H16	67.9°	61.3°
H7	C6	C5	H15	171.2°	61.4°
H7	C6	C5	H16	51.6°	58.7°
H10	C1	H11	H12	120.0°	119.9°
H10	C1	C2	H13	59.8°	60.0°
H10	C1	C2	H14	59.8°	180.0°
H11	C1	C2	H13	60.2°	180.0°
H11	C1	C2	H14	179.8°	59.9°
H12	C1	C2	H13	179.8°	60.0°
H12	C1	C2	H14	60.2°	60.1°
H17	C11	C12	H18	0.6°	0.4°

Release date:	2017-02-22
Definition date:	2016-11-07
Last modified:	2017-02-17
Release status:	REL
Processing site:	RCSB
Derived from:	5TTS