R00

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C1	sing	1.47Å	1.48Å
N	H1	sing	1.01Å	1.00Å
C1	C2	sing	1.53Å	1.53Å
C1	C3	sing	1.53Å	1.53Å
C1	H	sing	1.09Å	1.10Å
C2	O1	sing	1.43Å	1.41Å
C2	C10	sing	1.53Å	1.53Å
C2	H3	sing	1.09Å	1.10Å
O1	H4	sing	0.97Å	0.95Å
C3	C4	sing	1.51Å	1.48Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C4	C5	doub	1.38Å	1.39Å	Aromatic
C4	C6	sing	1.38Å	1.39Å	Aromatic
C5	C7	sing	1.38Å	1.39Å	Aromatic
C5	H7	sing	1.08Å	1.08Å
C6	C8	doub	1.38Å	1.39Å	Aromatic
C6	H8	sing	1.08Å	1.08Å
C7	C9	doub	1.38Å	1.39Å	Aromatic
C7	H9	sing	1.08Å	1.08Å
C8	C9	sing	1.38Å	1.39Å	Aromatic
C8	H10	sing	1.08Å	1.08Å
C9	H11	sing	1.08Å	1.08Å
C10	H12	sing	1.09Å	1.10Å
C10	H13	sing	1.09Å	1.10Å
C10	N2	sing	1.47Å	1.44Å
N2	C11	sing	1.47Å	1.46Å
N2	H14	sing	1.01Å	1.00Å
C11	C	sing	1.51Å	1.52Å
C11	C13	sing	1.53Å	1.53Å
C11	H15	sing	1.09Å	1.10Å
C	O	doub	1.21Å	1.24Å
C	OXT	sing	1.34Å	1.32Å
C13	C14	sing	1.51Å	1.51Å
C13	H16	sing	1.09Å	1.10Å
C13	H17	sing	1.09Å	1.10Å
C14	C15	doub	1.38Å	1.39Å	Aromatic
C14	C16	sing	1.38Å	1.39Å	Aromatic
C15	C17	sing	1.38Å	1.40Å	Aromatic
C15	H18	sing	1.08Å	1.08Å
C16	C18	doub	1.38Å	1.40Å	Aromatic
C16	H19	sing	1.08Å	1.08Å
C17	C19	doub	1.38Å	1.39Å	Aromatic
C17	H20	sing	1.08Å	1.08Å
C18	C19	sing	1.38Å	1.39Å	Aromatic
C18	H21	sing	1.08Å	1.08Å
C19	H22	sing	1.08Å	1.08Å
OXT	HXT	sing	0.97Å	0.95Å
N	H2	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N	H1	109.5°	111.0°
N	C1	C2	112.9°	109.5°
N	C1	C3	111.2°	109.5°
N	C1	H	105.4°	109.5°
C1	N	H2	109.5°	111.0°
H1	N	H2	109.5°	111.0°
C2	C1	C3	108.3°	109.5°
C2	C1	H	108.6°	109.5°
C1	C2	O1	109.4°	109.5°
C1	C2	C10	110.8°	109.5°
C1	C2	H3	108.6°	109.5°
C3	C1	H	110.4°	109.5°
C1	C3	C4	113.6°	109.5°
C1	C3	H5	108.1°	109.5°
C1	C3	H6	108.1°	109.5°
O1	C2	C10	109.3°	109.5°
O1	C2	H3	110.1°	109.4°
C2	O1	H4	109.5°	114.0°
C10	C2	H3	108.7°	109.5°
C2	C10	H12	109.2°	109.4°
C2	C10	H13	109.2°	109.4°
C2	C10	N2	110.2°	109.5°
C4	C3	H5	108.1°	109.4°
C4	C3	H6	108.1°	109.5°
C3	C4	C5	120.4°	120.0°
C3	C4	C6	120.4°	120.0°
H5	C3	H6	110.8°	109.4°
C5	C4	C6	119.1°	120.0°
C4	C5	C7	120.8°	120.0°
C4	C5	H7	119.6°	120.0°
C4	C6	C8	120.5°	120.0°
C4	C6	H8	119.8°	120.0°
C7	C5	H7	119.6°	120.0°
C5	C7	C9	119.7°	120.0°
C5	C7	H9	120.1°	120.0°
C8	C6	H8	119.7°	120.0°
C6	C8	C9	120.1°	120.0°
C6	C8	H10	119.9°	120.0°
C9	C7	H9	120.1°	120.0°
C7	C9	C8	119.8°	120.0°
C7	C9	H11	120.1°	120.0°
C9	C8	H10	120.0°	120.0°
C8	C9	H11	120.1°	120.0°
H12	C10	H13	109.7°	109.5°
H12	C10	N2	109.2°	109.5°
H13	C10	N2	109.2°	109.5°
C10	N2	C11	114.4°	111.0°
C10	N2	H14	107.8°	111.0°
C11	N2	H14	107.8°	111.0°
N2	C11	C	114.9°	109.5°
N2	C11	C13	111.5°	109.5°
N2	C11	H15	103.9°	109.5°
C	C11	C13	108.6°	109.5°
C	C11	H15	107.1°	109.5°
C11	C	O	122.3°	120.0°
C11	C	OXT	114.6°	120.0°
C13	C11	H15	110.7°	109.5°
C11	C13	C14	113.4°	109.5°
C11	C13	H16	108.2°	109.5°
C11	C13	H17	108.2°	109.5°
O	C	OXT	123.1°	120.0°
C	OXT	HXT	109.5°	117.0°
C14	C13	H16	108.2°	109.4°
C14	C13	H17	108.2°	109.5°
C13	C14	C15	120.8°	120.0°
C13	C14	C16	120.4°	120.0°
H16	C13	H17	110.8°	109.5°
C15	C14	C16	118.8°	120.0°
C14	C15	C17	120.8°	120.0°
C14	C15	H18	119.6°	120.0°
C14	C16	C18	120.9°	120.0°
C14	C16	H19	119.5°	120.0°
C17	C15	H18	119.6°	120.0°
C15	C17	C19	119.8°	120.0°
C15	C17	H20	120.1°	120.0°
C18	C16	H19	119.5°	120.0°
C16	C18	C19	119.9°	120.0°
C16	C18	H21	120.0°	120.0°
C19	C17	H20	120.1°	120.0°
C17	C19	C18	119.8°	120.0°
C17	C19	H22	120.1°	120.0°
C19	C18	H21	120.0°	120.0°
C18	C19	H22	120.1°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N	H1	H2	120.0°	123.9°
N	C1	C2	C3	123.6°	120.0°
N	C1	C2	H	116.6°	120.0°
N	C1	C3	H	116.7°	120.0°
N	C1	C2	O1	61.7°	60.0°
N	C1	C2	C10	58.9°	60.0°
N	C1	C2	H3	178.2°	180.0°
N	C1	C3	C4	52.6°	65.0°
N	C1	C3	H5	67.4°	55.0°
N	C1	C3	H6	172.6°	175.0°
H1	N	C1	C2	180.0°	63.9°
H1	N	C1	C3	58.1°	176.0°
H1	N	C1	H	61.6°	56.0°
C2	C1	C3	H	118.7°	120.0°
C1	C2	O1	C10	121.5°	120.0°
C1	C2	O1	H3	119.2°	120.0°
C1	C2	C10	H3	119.2°	120.0°
C1	C2	O1	H4	180.0°	60.0°
C2	C1	C3	C4	177.2°	175.0°
C2	C1	C3	H5	57.2°	65.0°
C2	C1	C3	H6	62.8°	55.0°
C1	C2	C10	H12	66.2°	60.0°
C1	C2	C10	H13	53.8°	60.0°
C1	C2	C10	N2	173.8°	180.0°
C2	C1	N	H2	60.0°	60.0°
C3	C1	C2	O1	61.9°	60.0°
C3	C1	C2	C10	177.5°	180.0°
C3	C1	C2	H3	58.2°	59.9°
C1	C3	C4	H5	120.0°	120.0°
C1	C3	C4	H6	120.0°	120.1°
C1	C3	H5	H6	118.3°	120.0°
C1	C3	C4	C5	91.8°	90.0°
C1	C3	C4	C6	85.8°	90.3°
C3	C1	N	H2	178.1°	60.0°
H	C1	C2	O1	178.2°	180.0°
H	C1	C2	C10	57.6°	60.0°
H	C1	C2	H3	61.6°	60.1°
H	C1	C3	C4	64.1°	55.0°
H	C1	C3	H5	175.9°	175.0°
H	C1	C3	H6	55.9°	65.0°
H	C1	N	H2	58.4°	180.0°
O1	C2	C10	H3	120.1°	119.9°
O1	C2	C10	H12	54.5°	60.1°
O1	C2	C10	H13	174.5°	180.0°
O1	C2	C10	N2	65.5°	59.9°
C10	C2	O1	H4	58.5°	60.0°
C2	C10	H12	H13	119.7°	119.9°
C2	C10	H12	N2	120.6°	120.0°
C2	C10	H13	N2	120.6°	120.0°
C2	C10	N2	C11	131.8°	180.0°
C2	C10	N2	H14	11.8°	56.1°
H3	C2	O1	H4	60.8°	180.0°
H3	C2	C10	H12	174.6°	180.0°
H3	C2	C10	H13	65.4°	60.1°
H3	C2	C10	N2	54.6°	60.0°
C4	C3	H5	H6	118.3°	119.9°
C3	C4	C5	C6	177.6°	179.8°
C3	C4	C5	C7	177.4°	180.0°
C3	C4	C5	H7	2.6°	0.0°
C3	C4	C6	C8	177.3°	180.0°
C3	C4	C6	H8	2.8°	0.1°
H5	C3	C4	C5	28.2°	30.0°
H5	C3	C4	C6	154.2°	149.7°
H6	C3	C4	C5	148.2°	150.0°
H6	C3	C4	C6	34.2°	29.8°
C4	C5	C7	H7	180.0°	180.0°
C5	C4	C6	C8	0.3°	0.2°
C5	C4	C6	H8	179.6°	179.7°
C4	C5	C7	C9	0.0°	0.0°
C4	C5	C7	H9	180.0°	180.0°
C6	C4	C5	C7	0.2°	0.3°
C6	C4	C5	H7	179.8°	179.8°
C4	C6	C8	H8	180.0°	179.9°
C4	C6	C8	C9	0.3°	0.0°
C4	C6	C8	H10	179.8°	179.9°
C5	C7	C9	H9	180.0°	180.0°
C5	C7	C9	C8	0.1°	0.2°
C5	C7	C9	H11	179.9°	180.0°
H7	C5	C7	C9	180.0°	180.0°
H7	C5	C7	H9	0.0°	0.0°
C6	C8	C9	C7	0.1°	0.3°
C6	C8	C9	H10	180.0°	180.0°
C6	C8	C9	H11	179.9°	179.9°
H8	C6	C8	C9	179.7°	179.9°
H8	C6	C8	H10	0.3°	0.0°
C7	C9	C8	H11	180.0°	179.8°
C7	C9	C8	H10	180.0°	179.7°
H9	C7	C9	C8	179.9°	179.8°
H9	C7	C9	H11	0.1°	0.0°
H10	C8	C9	H11	0.0°	0.1°
H12	C10	H13	N2	119.7°	120.1°
H12	C10	N2	C11	108.2°	60.1°
H12	C10	N2	H14	131.8°	176.0°
H13	C10	N2	C11	11.8°	60.0°
H13	C10	N2	H14	108.2°	63.9°
C10	N2	C11	H14	120.0°	123.9°
C10	N2	C11	C	66.8°	85.0°
C10	N2	C11	C13	57.3°	155.0°
C10	N2	C11	H15	176.6°	35.0°
N2	C11	C	C13	125.6°	120.0°
N2	C11	C	H15	114.8°	120.0°
N2	C11	C13	H15	115.1°	120.0°
N2	C11	C	O	56.7°	0.0°
N2	C11	C	OXT	123.8°	180.0°
N2	C11	C13	C14	179.2°	65.0°
N2	C11	C13	H16	59.3°	55.0°
N2	C11	C13	H17	60.8°	175.0°
H14	N2	C11	C	53.1°	151.0°
H14	N2	C11	C13	177.3°	31.0°
H14	N2	C11	H15	63.5°	89.0°
C	C11	C13	H15	117.3°	120.0°
C11	C	O	OXT	179.5°	180.0°
C	C11	C13	C14	53.2°	175.0°
C	C11	C13	H16	173.2°	65.0°
C	C11	C13	H17	66.8°	55.0°
C11	C	OXT	HXT	179.6°	180.0°
C13	C11	C	O	69.0°	120.0°
C13	C11	C	OXT	110.6°	60.0°
C11	C13	C14	H16	120.0°	120.0°
C11	C13	C14	H17	120.0°	120.0°
C11	C13	H16	H17	118.4°	120.0°
C11	C13	C14	C15	121.0°	90.0°
C11	C13	C14	C16	58.1°	90.3°
H15	C11	C	O	171.4°	120.0°
H15	C11	C	OXT	9.0°	60.0°
H15	C11	C13	C14	64.1°	55.0°
H15	C11	C13	H16	55.9°	175.0°
H15	C11	C13	H17	175.9°	65.0°
O	C	OXT	HXT	0.0°	0.0°
C14	C13	H16	H17	118.4°	120.0°
C13	C14	C15	C16	179.1°	179.7°
C13	C14	C15	C17	179.1°	180.0°
C13	C14	C15	H18	0.9°	0.0°
C13	C14	C16	C18	179.2°	180.0°
C13	C14	C16	H19	0.8°	0.0°
H16	C13	C14	C15	119.0°	30.0°
H16	C13	C14	C16	61.9°	149.7°
H17	C13	C14	C15	1.0°	150.0°
H17	C13	C14	C16	178.1°	29.7°
C14	C15	C17	H18	180.0°	180.0°
C15	C14	C16	C18	0.1°	0.3°
C15	C14	C16	H19	179.9°	179.7°
C14	C15	C17	C19	0.1°	0.0°
C14	C15	C17	H20	180.0°	180.0°
C16	C14	C15	C17	0.0°	0.2°
C16	C14	C15	H18	180.0°	179.7°
C14	C16	C18	H19	180.0°	180.0°
C14	C16	C18	C19	0.1°	0.1°
C14	C16	C18	H21	179.8°	180.0°
C15	C17	C19	H20	180.0°	180.0°
C15	C17	C19	C18	0.1°	0.2°
C15	C17	C19	H22	180.0°	179.9°
H18	C15	C17	C19	179.9°	179.9°
H18	C15	C17	H20	0.0°	0.1°
C16	C18	C19	C17	0.1°	0.2°
C16	C18	C19	H21	180.0°	179.9°
C16	C18	C19	H22	179.9°	179.9°
H19	C16	C18	C19	179.9°	179.9°
H19	C16	C18	H21	0.2°	0.0°
C17	C19	C18	H22	180.0°	179.9°
C17	C19	C18	H21	179.9°	179.7°
H20	C17	C19	C18	180.0°	179.8°
H20	C17	C19	H22	0.0°	0.1°
H21	C18	C19	H22	0.1°	0.2°

Definition date:	2010-11-17
Last modified:	2012-01-13
Release status:	REL
Processing site:	RCSB
Derived from:	1IIQ