926

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O13	C3	doub	1.22Å	1.25Å
C3	C4	sing	1.40Å	1.47Å
C3	N2	sing	1.35Å	1.40Å
C4	C5	doub	1.37Å	1.41Å
N2	C1	sing	1.37Å	1.36Å
N16	C17	sing	1.34Å	1.39Å	Aromatic
N16	C15	doub	1.31Å	1.38Å	Aromatic
S14	C15	sing	1.76Å	1.78Å
S14	C8	sing	1.76Å	1.79Å
C17	C18	doub	1.34Å	1.39Å	Aromatic
C15	N19	sing	1.36Å	1.40Å	Aromatic
C9	C8	doub	1.39Å	1.41Å	Aromatic
C9	C10	sing	1.40Å	1.42Å	Aromatic
C5	C6	sing	1.40Å	1.43Å
C1	C10	sing	1.48Å	1.51Å
C1	C6	doub	1.38Å	1.40Å
C8	C7	sing	1.39Å	1.43Å	Aromatic
C10	C11	doub	1.40Å	1.41Å	Aromatic
C18	N19	sing	1.38Å	1.37Å	Aromatic
N19	C20	sing	1.47Å	1.47Å
C7	C12	doub	1.38Å	1.44Å	Aromatic
C11	C12	sing	1.38Å	1.44Å	Aromatic
C6	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C4	H3	sing	1.08Å	1.08Å
C11	H5	sing	1.08Å	1.08Å
C12	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C9	H8	sing	1.08Å	1.08Å
C18	H9	sing	1.08Å	1.08Å
C20	H10	sing	1.09Å	1.10Å
C20	H11	sing	1.09Å	1.10Å
C20	H12	sing	1.09Å	1.10Å
C17	H13	sing	1.08Å	1.08Å
N2	H14	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O13	C3	C4	125.3°	119.8°
O13	C3	N2	119.6°	119.9°
C4	C3	N2	115.1°	120.3°
C3	C4	C5	116.6°	119.7°
C3	C4	H3	121.7°	120.2°
C3	N2	C1	128.3°	120.6°
C3	N2	H14	115.8°	119.6°
C4	C5	C6	124.7°	119.4°
C4	C5	H2	117.6°	120.3°
C5	C4	H3	121.7°	120.2°
N2	C1	C10	114.8°	119.9°
N2	C1	C6	118.0°	120.3°
C1	N2	H14	115.8°	119.7°
C17	N16	C15	106.6°	109.3°
N16	C17	C18	109.4°	108.3°
N16	C17	H13	125.3°	125.8°
N16	C15	S14	127.2°	125.8°
N16	C15	N19	108.7°	108.3°
C15	S14	C8	109.5°	100.0°
S14	C15	N19	124.1°	125.8°
S14	C8	C9	112.7°	120.0°
S14	C8	C7	128.6°	120.0°
C17	C18	N19	107.5°	107.0°
C17	C18	H9	126.3°	126.5°
C18	C17	H13	125.3°	125.8°
C15	N19	C18	107.9°	107.0°
C15	N19	C20	123.3°	126.5°
C8	C9	C10	123.2°	119.8°
C9	C8	C7	118.7°	120.0°
C8	C9	H8	118.4°	120.2°
C9	C10	C1	114.7°	120.1°
C9	C10	C11	118.9°	119.8°
C10	C9	H8	118.4°	120.1°
C5	C6	C1	117.3°	119.7°
C5	C6	H1	121.4°	120.2°
C6	C5	H2	117.6°	120.3°
C10	C1	C6	127.2°	119.9°
C1	C10	C11	126.4°	120.1°
C1	C6	H1	121.3°	120.1°
C8	C7	C12	118.6°	120.2°
C8	C7	H7	120.7°	119.9°
C10	C11	C12	119.6°	120.0°
C10	C11	H5	120.2°	120.0°
C18	N19	C20	128.8°	126.5°
N19	C18	H9	126.3°	126.5°
N19	C20	H10	109.5°	109.4°
N19	C20	H11	109.4°	109.5°
N19	C20	H12	109.5°	109.5°
C7	C12	C11	121.0°	120.2°
C7	C12	H6	119.5°	119.9°
C12	C7	H7	120.7°	119.9°
C12	C11	H5	120.2°	120.0°
C11	C12	H6	119.5°	119.9°
H10	C20	H11	109.5°	109.5°
H10	C20	H12	109.5°	109.5°
H11	C20	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O13	C3	C4	N2	178.8°	179.7°
O13	C3	C4	C5	178.2°	179.7°
O13	C3	N2	C1	179.2°	180.0°
O13	C3	C4	H3	1.7°	0.0°
O13	C3	N2	H14	0.8°	0.1°
C3	C4	C5	H3	180.0°	179.7°
C4	C3	N2	C1	0.3°	0.3°
C3	C4	C5	C6	1.2°	0.5°
C3	C4	C5	H2	178.9°	179.7°
C4	C3	N2	H14	179.7°	179.8°
N2	C3	C4	C5	0.6°	0.5°
C3	N2	C1	H14	180.0°	179.9°
C3	N2	C1	C10	178.5°	180.0°
C3	N2	C1	C6	0.8°	0.0°
N2	C3	C4	H3	179.4°	179.7°
C4	C5	C6	H2	180.0°	179.8°
C4	C5	C6	C1	0.8°	0.3°
C4	C5	C6	H1	179.2°	179.8°
N2	C1	C10	C9	51.9°	179.7°
N2	C1	C6	C5	0.2°	0.0°
N2	C1	C10	C6	179.2°	179.9°
N2	C1	C10	C11	127.4°	0.1°
N2	C1	C6	H1	179.8°	180.0°
C17	N16	C15	S14	179.9°	179.9°
N16	C17	C18	H13	180.0°	179.5°
C17	N16	C15	N19	0.3°	0.5°
N16	C17	C18	N19	0.0°	0.3°
N16	C17	C18	H9	179.9°	179.8°
N16	C15	S14	N19	179.5°	179.6°
N16	C15	S14	C8	101.2°	4.8°
C15	N16	C17	C18	0.2°	0.5°
N16	C15	N19	C18	0.3°	0.3°
N16	C15	N19	C20	179.8°	179.8°
C15	N16	C17	H13	179.8°	180.0°
C15	S14	C8	C9	174.2°	85.4°
C15	S14	C8	C7	6.6°	94.8°
S14	C15	N19	C18	179.9°	180.0°
S14	C15	N19	C20	0.2°	0.1°
C8	S14	C15	N19	79.3°	174.8°
S14	C8	C9	C7	179.3°	179.7°
S14	C8	C9	C10	179.8°	179.7°
S14	C8	C7	C12	179.2°	180.0°
S14	C8	C7	H7	0.8°	0.0°
S14	C8	C9	H8	0.2°	0.3°
C17	C18	N19	C15	0.2°	0.0°
C17	C18	N19	H9	180.0°	180.0°
C17	C18	N19	C20	180.0°	179.9°
C15	N19	C18	C20	179.9°	179.9°
C15	N19	C18	H9	179.9°	179.9°
C15	N19	C20	H10	180.0°	90.1°
C15	N19	C20	H11	60.0°	149.9°
C15	N19	C20	H12	60.0°	29.9°
C8	C9	C10	H8	180.0°	179.5°
C8	C9	C10	C1	178.1°	179.7°
C8	C9	C10	C11	1.2°	0.6°
C9	C8	C7	C12	0.1°	0.3°
C9	C8	C7	H7	179.9°	179.8°
C9	C10	C1	C11	179.3°	179.8°
C9	C10	C1	C6	127.4°	0.2°
C10	C9	C8	C7	0.9°	0.5°
C9	C10	C11	C12	0.7°	0.3°
C9	C10	C11	H5	179.3°	179.8°
C5	C6	C1	C10	179.0°	180.0°
C5	C6	C1	H1	180.0°	180.0°
C6	C5	C4	H3	178.8°	179.7°
C1	C10	C11	C12	178.6°	179.9°
C10	C1	C6	H1	1.0°	0.1°
C1	C10	C11	H5	1.5°	0.0°
C1	C10	C9	H8	1.9°	0.2°
C10	C1	N2	H14	1.5°	0.1°
C6	C1	C10	C11	53.4°	180.0°
C1	C6	C5	H2	179.3°	180.0°
C6	C1	N2	H14	179.2°	180.0°
C8	C7	C12	H7	180.0°	180.0°
C8	C7	C12	C11	0.4°	0.0°
C8	C7	C12	H6	179.6°	180.0°
C7	C8	C9	H8	179.1°	180.0°
C10	C11	C12	C7	0.1°	0.1°
C10	C11	C12	H5	180.0°	179.9°
C10	C11	C12	H6	179.9°	180.0°
C11	C10	C9	H8	178.8°	180.0°
C18	N19	C20	H10	0.1°	90.1°
C18	N19	C20	H11	119.9°	29.9°
C18	N19	C20	H12	120.2°	149.9°
N19	C18	C17	H13	179.9°	179.8°
C20	N19	C18	H9	0.0°	0.0°
N19	C20	H10	H11	120.0°	120.0°
N19	C20	H10	H12	120.0°	120.0°
N19	C20	H11	H12	120.0°	120.0°
C7	C12	C11	H6	180.0°	179.9°
C7	C12	C11	H5	179.9°	180.0°
C11	C12	C7	H7	179.6°	180.0°
H1	C6	C5	H2	0.7°	0.0°
H2	C5	C4	H3	1.1°	0.0°
H5	C11	C12	H6	0.1°	0.1°
H6	C12	C7	H7	0.4°	0.1°
H9	C18	C17	H13	0.1°	0.3°
H10	C20	H11	H12	120.0°	120.0°

Release date:	2013-07-24
Definition date:	2013-07-03
Last modified:	2013-07-19
Release status:	REL
Processing site:	RCSB
Derived from:	4L3Q