KQY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O8	C7	doub	1.21Å	1.30Å
C7	C6	sing	1.51Å	1.55Å
C7	N9	sing	1.35Å	1.45Å
N1	C2	sing	1.47Å	1.51Å
C5	C6	sing	1.53Å	1.54Å
C5	C4	sing	1.53Å	1.52Å
C3	C2	sing	1.53Å	1.55Å
C3	C4	sing	1.53Å	1.52Å
N9	H1	sing	0.97Å	1.00Å
N9	H2	sing	0.97Å	1.00Å
C6	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C3	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.09Å	1.10Å
C2	H11	sing	1.09Å	1.10Å
C2	H12	sing	1.09Å	1.10Å
N1	H13	sing	1.01Å	1.00Å
N1	H14	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O8	C7	C6	128.1°	120.0°
O8	C7	N9	120.1°	120.0°
C6	C7	N9	111.8°	120.0°
C7	C6	C5	118.9°	109.5°
C7	C6	H3	107.1°	109.5°
C7	C6	H4	107.0°	109.4°
C7	N9	H1	120.0°	120.0°
C7	N9	H2	120.0°	120.0°
N1	C2	C3	116.7°	109.4°
N1	C2	H11	107.6°	109.5°
N1	C2	H12	107.7°	109.5°
C2	N1	H13	109.5°	111.0°
C2	N1	H14	109.5°	111.0°
C6	C5	C4	108.7°	109.5°
C5	C6	H3	107.0°	109.5°
C5	C6	H4	107.1°	109.5°
C6	C5	H5	109.6°	109.5°
C6	C5	H6	109.7°	109.5°
C5	C4	C3	116.0°	109.5°
C4	C5	H5	109.6°	109.4°
C4	C5	H6	109.6°	109.5°
C5	C4	H7	107.8°	109.5°
C5	C4	H8	107.8°	109.5°
C2	C3	C4	114.5°	109.5°
C2	C3	H9	108.2°	109.5°
C2	C3	H10	108.2°	109.5°
C3	C2	H11	107.6°	109.5°
C3	C2	H12	107.6°	109.4°
C3	C4	H7	107.8°	109.5°
C3	C4	H8	107.8°	109.5°
C4	C3	H9	108.2°	109.4°
C4	C3	H10	108.2°	109.5°
H1	N9	H2	120.0°	120.0°
H3	C6	H4	109.5°	109.4°
H5	C5	H6	109.5°	109.4°
H7	C4	H8	109.5°	109.4°
H9	C3	H10	109.5°	109.5°
H11	C2	H12	109.5°	109.5°
H13	N1	H14	109.4°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O8	C7	C6	N9	178.1°	179.7°
O8	C7	C6	C5	45.1°	0.0°
O8	C7	N9	H1	0.0°	0.0°
O8	C7	N9	H2	180.0°	180.0°
O8	C7	C6	H3	166.4°	120.0°
O8	C7	C6	H4	76.3°	120.0°
C7	C6	C5	H3	121.4°	120.0°
C7	C6	C5	H4	121.3°	120.0°
C7	C6	C5	C4	166.7°	180.0°
C6	C7	N9	H1	178.3°	179.7°
C6	C7	N9	H2	1.7°	0.3°
C7	C6	H3	H4	115.7°	120.0°
C7	C6	C5	H5	46.8°	60.0°
C7	C6	C5	H6	73.4°	60.0°
N9	C7	C6	C5	136.8°	179.7°
C7	N9	H1	H2	180.0°	180.0°
N9	C7	C6	H3	15.4°	60.3°
N9	C7	C6	H4	101.9°	59.7°
N1	C2	C3	H11	121.0°	120.0°
N1	C2	C3	H12	121.0°	119.9°
N1	C2	C3	C4	178.7°	180.0°
N1	C2	C3	H9	60.5°	60.0°
N1	C2	C3	H10	58.0°	60.0°
N1	C2	H11	H12	116.7°	120.0°
C2	N1	H13	H14	120.0°	123.9°
C6	C5	C4	H5	119.9°	120.0°
C6	C5	C4	H6	119.9°	120.1°
C6	C5	C4	C3	169.4°	180.0°
C5	C6	H3	H4	115.7°	120.0°
C6	C5	H5	H6	120.4°	120.0°
C6	C5	C4	H7	69.6°	60.0°
C6	C5	C4	H8	48.4°	60.0°
C5	C4	C3	C2	165.9°	180.0°
C5	C4	C3	H7	121.0°	120.0°
C5	C4	C3	H8	121.0°	120.1°
C4	C5	C6	H3	71.9°	60.0°
C4	C5	C6	H4	45.4°	60.0°
C4	C5	H5	H6	120.3°	119.9°
C5	C4	H7	H8	117.0°	120.0°
C5	C4	C3	H9	73.4°	60.0°
C5	C4	C3	H10	45.1°	60.0°
C2	C3	C4	H9	120.7°	120.0°
C2	C3	C4	H10	120.7°	120.0°
C2	C3	C4	H7	73.1°	60.0°
C2	C3	C4	H8	44.9°	59.9°
C2	C3	H9	H10	117.7°	120.0°
C3	C2	H11	H12	116.7°	120.0°
C3	C2	N1	H13	180.0°	56.1°
C3	C2	N1	H14	60.0°	180.0°
C3	C4	C5	H5	49.5°	60.0°
C3	C4	C5	H6	70.7°	59.9°
C3	C4	H7	H8	117.0°	120.0°
C4	C3	H9	H10	117.7°	120.0°
C4	C3	C2	H11	57.7°	60.0°
C4	C3	C2	H12	60.2°	60.0°
H3	C6	C5	H5	168.2°	179.9°
H3	C6	C5	H6	47.9°	60.1°
H4	C6	C5	H5	74.5°	60.0°
H4	C6	C5	H6	165.2°	180.0°
H5	C5	C4	H7	170.5°	180.0°
H5	C5	C4	H8	71.4°	60.1°
H6	C5	C4	H7	50.3°	60.1°
H6	C5	C4	H8	168.3°	180.0°
H7	C4	C3	H9	47.6°	179.9°
H7	C4	C3	H10	166.1°	60.0°
H8	C4	C3	H9	165.7°	60.0°
H8	C4	C3	H10	75.8°	179.9°
H9	C3	C2	H11	178.4°	180.0°
H9	C3	C2	H12	60.5°	59.9°
H10	C3	C2	H11	63.1°	60.0°
H10	C3	C2	H12	179.0°	180.0°
H11	C2	N1	H13	59.0°	63.9°
H11	C2	N1	H14	61.0°	60.0°
H12	C2	N1	H13	59.0°	176.0°
H12	C2	N1	H14	179.0°	60.1°

Release date:	2019-03-20
Definition date:	2019-01-08
Last modified:	2019-03-15
Release status:	REL
Processing site:	RCSB
Derived from:	6NIC