EYP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	sing	1.53Å	1.51Å
C2	C3	sing	1.51Å	1.50Å
O	C	doub	1.21Å	1.32Å
C1	C	sing	1.51Å	1.50Å
N	C3	doub	1.28Å	1.29Å	Aromatic
N	C4	sing	1.35Å	1.40Å	Aromatic
C3	S1	sing	1.76Å	1.75Å	Aromatic
C5	C4	doub	1.40Å	1.39Å	Aromatic
C5	C6	sing	1.40Å	1.39Å	Aromatic
C	O1	sing	1.34Å	1.23Å
C4	C13	sing	1.40Å	1.40Å	Aromatic
N1	C6	sing	1.35Å	1.38Å	Aromatic
N1	C7	doub	1.28Å	1.29Å	Aromatic
C6	C11	doub	1.40Å	1.40Å	Aromatic
O3	C10	doub	1.21Å	1.21Å
C8	C7	sing	1.51Å	1.49Å
C8	C9	sing	1.53Å	1.50Å
S1	C13	sing	1.76Å	1.75Å	Aromatic
C7	S	sing	1.76Å	1.75Å	Aromatic
C13	C12	doub	1.39Å	1.41Å	Aromatic
C11	C12	sing	1.39Å	1.40Å	Aromatic
C11	S	sing	1.76Å	1.76Å	Aromatic
C10	C9	sing	1.51Å	1.49Å
C10	O2	sing	1.34Å	1.30Å
O1	H1	sing	0.97Å	0.95Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
O2	H11	sing	0.97Å	0.95Å
C12	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	114.6°	109.5°
C2	C1	C	115.6°	109.4°
C2	C1	H2	107.9°	109.5°
C2	C1	H3	107.9°	109.5°
C1	C2	H4	108.2°	109.5°
C1	C2	H5	108.2°	109.5°
C2	C3	N	122.2°	124.7°
C2	C3	S1	120.8°	124.8°
C3	C2	H4	108.2°	109.5°
C3	C2	H5	108.2°	109.4°
O	C	C1	112.7°	120.0°
O	C	O1	124.7°	120.0°
C1	C	O1	122.6°	119.9°
C	C1	H2	107.9°	109.4°
C	C1	H3	107.9°	109.5°
C3	N	C4	110.7°	118.1°
N	C3	S1	116.3°	110.5°
N	C4	C5	124.1°	128.6°
N	C4	C13	115.4°	112.6°
C3	S1	C13	89.0°	90.4°
C4	C5	C6	119.3°	121.0°
C5	C4	C13	120.2°	118.8°
C4	C5	H6	120.4°	119.5°
C5	C6	N1	123.7°	128.6°
C5	C6	C11	120.5°	118.8°
C6	C5	H6	120.4°	119.5°
C	O1	H1	109.5°	117.0°
C4	C13	S1	108.6°	108.3°
C4	C13	C12	121.7°	120.4°
C6	N1	C7	110.8°	118.2°
N1	C6	C11	115.7°	112.6°
N1	C7	C8	121.3°	124.7°
N1	C7	S	116.3°	110.5°
C6	C11	C12	121.3°	120.4°
C6	C11	S	108.5°	108.3°
O3	C10	C9	122.7°	120.0°
O3	C10	O2	124.8°	120.0°
C7	C8	C9	112.8°	109.5°
C8	C7	S	122.2°	124.8°
C7	C8	H7	108.7°	109.4°
C7	C8	H8	108.6°	109.5°
C8	C9	C10	111.5°	109.5°
C9	C8	H7	108.6°	109.5°
C9	C8	H8	108.6°	109.5°
C8	C9	H9	109.0°	109.4°
C8	C9	H10	109.0°	109.5°
S1	C13	C12	129.2°	131.3°
C7	S	C11	88.7°	90.4°
C13	C12	C11	117.0°	120.5°
C13	C12	H12	121.5°	119.7°
C12	C11	S	130.2°	131.3°
C11	C12	H12	121.5°	119.8°
C9	C10	O2	112.4°	120.0°
C10	C9	H9	109.0°	109.5°
C10	C9	H10	109.0°	109.5°
C10	O2	H11	109.5°	117.0°
H2	C1	H3	109.5°	109.5°
H4	C2	H5	109.4°	109.5°
H7	C8	H8	109.5°	109.5°
H9	C9	H10	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	H4	120.8°	120.1°
C1	C2	C3	H5	120.8°	120.0°
C2	C1	C	O	101.2°	0.0°
C2	C1	C	H2	120.9°	120.0°
C2	C1	C	H3	120.9°	120.0°
C1	C2	C3	N	99.9°	90.4°
C1	C2	C3	S1	89.7°	90.0°
C2	C1	C	O1	80.9°	180.0°
C2	C1	H2	H3	117.2°	120.0°
C1	C2	H4	H5	117.7°	120.0°
C3	C2	C1	C	36.8°	180.0°
C2	C3	N	S1	170.8°	179.7°
C2	C3	N	C4	168.3°	180.0°
C2	C3	S1	C13	168.6°	180.0°
C3	C2	C1	H2	157.7°	60.1°
C3	C2	C1	H3	84.1°	60.0°
C3	C2	H4	H5	117.7°	119.9°
O	C	C1	O1	177.9°	180.0°
O	C	O1	H1	0.0°	0.0°
O	C	C1	H2	19.7°	120.0°
O	C	C1	H3	137.9°	120.0°
C1	C	O1	H1	177.6°	180.0°
C	C1	H2	H3	117.2°	120.0°
C	C1	C2	H4	157.5°	60.0°
C	C1	C2	H5	84.0°	60.1°
C3	N	C4	C5	171.4°	179.8°
C3	N	C4	C13	1.3°	0.1°
N	C3	S1	C13	2.4°	0.3°
N	C3	C2	H4	139.4°	29.7°
N	C3	C2	H5	20.9°	149.7°
C4	N	C3	S1	2.5°	0.3°
N	C4	C5	C13	172.3°	179.9°
N	C4	C5	C6	169.1°	179.9°
N	C4	C13	S1	0.4°	0.1°
N	C4	C13	C12	171.6°	179.9°
N	C4	C5	H6	10.9°	0.1°
C3	S1	C13	C4	1.4°	0.2°
C3	S1	C13	C12	169.9°	179.8°
S1	C3	C2	H4	31.0°	149.9°
S1	C3	C2	H5	149.5°	30.0°
C4	C5	C6	H6	180.0°	179.9°
C4	C5	C6	N1	174.6°	179.9°
C4	C5	C6	C11	1.2°	0.0°
C5	C4	C13	S1	173.4°	180.0°
C5	C4	C13	C12	1.3°	0.0°
C6	C5	C4	C13	3.2°	0.0°
C5	C6	N1	C11	176.0°	179.9°
C5	C6	N1	C7	174.8°	179.9°
C5	C6	C11	C12	2.9°	0.0°
C5	C6	C11	S	175.0°	179.9°
O1	C	C1	H2	158.2°	60.0°
O1	C	C1	H3	40.0°	60.0°
C4	C13	S1	C12	171.3°	179.9°
C4	C13	C12	C11	2.6°	0.0°
C13	C4	C5	H6	176.8°	179.9°
C4	C13	C12	H12	177.4°	180.0°
C6	N1	C7	C8	175.7°	180.0°
C6	N1	C7	S	0.6°	0.0°
N1	C6	C11	C12	179.0°	180.0°
N1	C6	C11	S	1.1°	0.0°
N1	C6	C5	H6	5.4°	0.1°
C7	N1	C6	C11	1.2°	0.0°
N1	C7	C8	S	176.1°	180.0°
N1	C7	C8	C9	96.3°	90.0°
N1	C7	S	C11	0.0°	0.0°
N1	C7	C8	H7	143.2°	149.9°
N1	C7	C8	H8	24.2°	30.0°
C6	C11	S	C7	0.6°	0.0°
C6	C11	C12	C13	4.6°	0.0°
C6	C11	C12	S	177.3°	179.9°
C11	C6	C5	H6	178.8°	180.0°
C6	C11	C12	H12	175.4°	180.0°
O3	C10	C9	C8	67.1°	0.0°
O3	C10	C9	O2	180.0°	179.9°
O3	C10	C9	H9	172.6°	119.9°
O3	C10	C9	H10	53.2°	120.0°
O3	C10	O2	H11	0.0°	0.1°
C7	C8	C9	H7	120.5°	120.0°
C7	C8	C9	H8	120.5°	120.0°
C8	C7	S	C11	176.3°	180.0°
C7	C8	C9	C10	73.2°	180.0°
C7	C8	H7	H8	118.5°	120.0°
C7	C8	C9	H9	47.1°	60.0°
C7	C8	C9	H10	166.5°	60.0°
C9	C8	C7	S	87.6°	90.0°
C8	C9	C10	H9	120.3°	120.0°
C8	C9	C10	H10	120.3°	120.0°
C8	C9	C10	O2	112.8°	179.9°
C9	C8	H7	H8	118.5°	120.0°
C8	C9	H9	H10	119.0°	120.0°
S1	C13	C12	C11	167.7°	180.0°
S1	C13	C12	H12	12.3°	0.1°
C7	S	C11	C12	178.2°	180.0°
S	C7	C8	H7	32.9°	30.0°
S	C7	C8	H8	152.0°	150.0°
C13	C12	C11	H12	180.0°	180.0°
C13	C12	C11	S	172.7°	179.9°
S	C11	C12	H12	7.3°	0.1°
C10	C9	C8	H7	166.3°	60.0°
C10	C9	C8	H8	47.3°	60.0°
C10	C9	H9	H10	119.1°	120.0°
C9	C10	O2	H11	180.0°	180.0°
O2	C10	C9	H9	7.5°	60.0°
O2	C10	C9	H10	126.8°	60.0°
H2	C1	C2	H4	81.6°	60.0°
H2	C1	C2	H5	36.9°	180.0°
H3	C1	C2	H4	36.7°	180.0°
H3	C1	C2	H5	155.1°	59.9°
H7	C8	C9	H9	73.4°	180.0°
H7	C8	C9	H10	45.9°	60.0°
H8	C8	C9	H9	167.6°	60.0°
H8	C8	C9	H10	73.0°	180.0°

Release date:	2018-02-28
Definition date:	2018-02-12
Last modified:	2018-02-23
Release status:	REL
Processing site:	RCSB
Derived from:	6CE6