T6Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C	sing	1.51Å	1.52Å
C1	O	doub	1.21Å	1.23Å
N	C1	sing	1.35Å	1.35Å
C2	N	sing	1.47Å	1.46Å
C3	C2	sing	1.53Å	1.51Å
N1	C3	sing	1.47Å	1.47Å
C4	N1	sing	1.47Å	1.47Å
C5	C4	sing	1.51Å	1.50Å
C6	C5	doub	1.33Å	1.39Å	Aromatic
C7	C6	sing	1.38Å	1.41Å	Aromatic
C8	C7	doub	1.33Å	1.39Å	Aromatic
CL	C8	sing	1.74Å	1.72Å
C8	S	sing	1.76Å	1.72Å	Aromatic
S	C5	sing	1.76Å	1.73Å	Aromatic
N1	C9	sing	1.47Å	1.47Å
C9	C10	sing	1.53Å	1.51Å
C10	N	sing	1.47Å	1.47Å
C4	H8	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C6	H9	sing	1.08Å	1.08Å
C7	H10	sing	1.08Å	1.08Å
C10	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	O	119.6°	120.0°
C	C1	N	118.8°	120.0°
C1	C	H	109.5°	109.5°
C1	C	H2	109.5°	109.4°
C1	C	H1	109.5°	109.5°
O	C1	N	121.5°	120.0°
C1	N	C2	122.5°	120.9°
C1	N	C10	126.4°	120.9°
N	C2	C3	109.3°	108.5°
C2	N	C10	111.1°	118.2°
N	C2	H3	109.5°	109.6°
N	C2	H4	109.5°	109.6°
C2	C3	N1	110.9°	109.3°
C3	C2	H3	109.5°	109.7°
C3	C2	H4	109.5°	109.8°
C2	C3	H5	109.1°	109.5°
C2	C3	H6	109.1°	109.5°
C3	N1	C4	110.8°	111.0°
C3	N1	C9	109.1°	111.3°
N1	C3	H5	109.1°	109.5°
N1	C3	H6	109.1°	109.5°
N1	C4	C5	113.8°	109.4°
C4	N1	C9	111.0°	111.0°
N1	C4	H8	108.4°	109.5°
N1	C4	H7	108.4°	109.5°
C4	C5	C6	127.2°	125.2°
C4	C5	S	122.0°	125.1°
C5	C4	H8	108.4°	109.4°
C5	C4	H7	108.4°	109.5°
C5	C6	C7	113.1°	114.9°
C6	C5	S	110.8°	109.7°
C5	C6	H9	123.4°	122.5°
C6	C7	C8	111.1°	114.9°
C7	C6	H9	123.4°	122.6°
C6	C7	H10	124.5°	122.6°
C7	C8	CL	127.2°	125.2°
C7	C8	S	112.4°	109.6°
C8	C7	H10	124.5°	122.5°
CL	C8	S	120.4°	125.2°
C8	S	C5	91.7°	91.0°
N1	C9	C10	111.7°	109.3°
N1	C9	H11	108.9°	109.5°
N1	C9	H12	108.9°	109.4°
C9	C10	N	110.4°	108.6°
C9	C10	H13	109.2°	109.6°
C9	C10	H14	109.2°	109.8°
C10	C9	H11	108.9°	109.6°
C10	C9	H12	108.9°	109.5°
N	C10	H13	109.3°	109.6°
N	C10	H14	109.2°	109.7°
H8	C4	H7	109.5°	109.5°
H13	C10	H14	109.5°	109.6°
H	C	H2	109.5°	109.5°
H	C	H1	109.4°	109.5°
H2	C	H1	109.5°	109.4°
H3	C2	H4	109.4°	109.6°
H5	C3	H6	109.5°	109.5°
H11	C9	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	O	N	177.6°	179.9°
C	C1	N	C2	174.4°	0.0°
C	C1	N	C10	4.1°	180.0°
C1	C	H	H2	120.0°	119.9°
C1	C	H	H1	120.0°	120.0°
C1	C	H2	H1	120.0°	120.0°
O	C1	N	C2	3.1°	180.0°
O	C1	N	C10	178.3°	0.0°
O	C1	C	H	0.0°	120.0°
O	C1	C	H2	120.0°	0.0°
O	C1	C	H1	120.0°	119.9°
C1	N	C2	C10	178.8°	180.0°
C1	N	C2	C3	120.5°	128.8°
C1	N	C10	C9	122.5°	128.8°
C1	N	C10	H13	117.4°	9.1°
C1	N	C10	H14	2.4°	111.3°
N	C1	C	H	177.6°	60.0°
N	C1	C	H2	62.4°	180.0°
N	C1	C	H1	57.6°	60.0°
C1	N	C2	H3	119.5°	111.4°
C1	N	C2	H4	0.5°	8.9°
N	C2	C3	H3	120.0°	119.7°
N	C2	C3	H4	120.0°	119.8°
N	C2	C3	N1	60.0°	53.8°
C2	N	C10	C9	56.2°	51.2°
C2	N	C10	H13	63.9°	170.9°
C2	N	C10	H14	176.3°	68.7°
N	C2	H3	H4	120.1°	120.3°
N	C2	C3	H5	179.7°	66.1°
N	C2	C3	H6	60.2°	173.8°
C2	C3	N1	H5	120.2°	119.9°
C2	C3	N1	H6	120.2°	120.0°
C2	C3	N1	C4	178.7°	172.8°
C2	C3	N1	C9	58.8°	63.1°
C3	C2	N	C10	58.3°	51.2°
C3	C2	H3	H4	120.1°	120.6°
C2	C3	H5	H6	119.3°	120.1°
C3	N1	C4	C9	121.4°	124.3°
C3	N1	C4	C5	37.6°	170.0°
C3	N1	C9	C10	56.5°	63.1°
C3	N1	C4	H8	83.0°	50.0°
C3	N1	C4	H7	158.2°	70.0°
N1	C3	C2	H3	59.9°	65.9°
N1	C3	C2	H4	180.0°	173.6°
N1	C3	H5	H6	119.3°	120.1°
C3	N1	C9	H11	176.9°	176.9°
C3	N1	C9	H12	63.8°	56.9°
N1	C4	C5	H8	120.6°	120.0°
N1	C4	C5	H7	120.6°	120.0°
N1	C4	C5	C6	111.1°	90.0°
N1	C4	C5	S	68.4°	90.4°
C4	N1	C9	C10	178.9°	172.8°
N1	C4	H8	H7	118.0°	120.0°
C4	N1	C3	H5	58.5°	67.3°
C4	N1	C3	H6	61.1°	52.8°
C4	N1	C9	H11	60.7°	52.8°
C4	N1	C9	H12	58.6°	67.3°
C4	C5	C6	S	179.5°	179.7°
C4	C5	C6	C7	172.0°	179.9°
C4	C5	S	C8	177.4°	180.0°
C5	C4	N1	C9	159.0°	65.7°
C5	C4	H8	H7	118.1°	120.1°
C4	C5	C6	H9	8.0°	0.1°
C5	C6	C7	H9	180.0°	180.0°
C5	C6	C7	C8	10.8°	0.0°
C6	C5	S	C8	3.1°	0.4°
C6	C5	C4	H8	9.5°	29.9°
C6	C5	C4	H7	128.3°	150.0°
C5	C6	C7	H10	169.2°	179.9°
C6	C7	C8	H10	180.0°	179.9°
C6	C7	C8	CL	171.0°	180.0°
C6	C7	C8	S	8.3°	0.3°
C7	C6	C5	S	8.5°	0.3°
C7	C8	CL	S	179.2°	179.7°
C7	C8	S	C5	3.0°	0.4°
C8	C7	C6	H9	169.2°	180.0°
CL	C8	S	C5	176.2°	179.9°
CL	C8	C7	H10	9.1°	0.0°
S	C8	C7	H10	171.7°	179.8°
S	C5	C4	H8	171.0°	149.7°
S	C5	C4	H7	52.2°	29.6°
S	C5	C6	H9	171.5°	179.8°
N1	C9	C10	H11	120.3°	120.0°
N1	C9	C10	H12	120.3°	119.9°
N1	C9	C10	N	55.5°	53.8°
C9	N1	C4	H8	38.3°	174.4°
C9	N1	C4	H7	80.4°	54.3°
N1	C9	C10	H13	64.6°	173.5°
N1	C9	C10	H14	175.7°	66.0°
C9	N1	C3	H5	179.0°	56.8°
C9	N1	C3	H6	61.4°	176.9°
N1	C9	H11	H12	118.9°	120.0°
C9	C10	N	H13	120.1°	119.7°
C9	C10	N	H14	120.1°	119.9°
C9	C10	H13	H14	119.5°	120.5°
C10	C9	H11	H12	119.0°	120.1°
N	C10	H13	H14	119.6°	120.4°
C10	N	C2	H3	61.7°	68.6°
C10	N	C2	H4	178.3°	171.1°
N	C10	C9	H11	175.8°	173.8°
N	C10	C9	H12	64.8°	66.1°
H9	C6	C7	H10	10.8°	0.0°
H13	C10	C9	H11	55.7°	66.5°
H13	C10	C9	H12	175.1°	53.6°
H14	C10	C9	H11	64.0°	54.0°
H14	C10	C9	H12	55.3°	174.1°
H	C	H2	H1	120.0°	120.1°
H3	C2	C3	H5	60.3°	174.2°
H3	C2	C3	H6	179.8°	54.1°
H4	C2	C3	H5	59.8°	53.7°
H4	C2	C3	H6	59.8°	66.4°

Release date:	2020-03-25
Definition date:	2020-03-16
Last modified:	2020-03-20
Release status:	REL
Processing site:	RCSB
Derived from:	5RFH