FPI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C2	sing	1.47Å	1.45Å
N	C6	sing	1.47Å	1.49Å
N	C7	sing	1.35Å	1.28Å
C2	C3	sing	1.53Å	1.55Å
C2	H21	sing	1.09Å	1.11Å
C2	H22	sing	1.09Å	1.12Å
C3	C4	sing	1.53Å	1.59Å
C3	H31	sing	1.09Å	1.12Å
C3	H32	sing	1.09Å	1.12Å
C4	C5	sing	1.53Å	1.57Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.12Å
C5	C6	sing	1.53Å	1.56Å
C5	H51	sing	1.09Å	1.11Å
C5	H52	sing	1.09Å	1.12Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
C7	O	doub	1.21Å	1.25Å
C7	H7	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N	C6	116.2°	118.8°
C2	N	C7	128.3°	120.6°
N	C2	C3	111.8°	108.7°
N	C2	H21	111.4°	109.6°
N	C2	H22	111.4°	109.7°
C6	N	C7	115.3°	120.6°
N	C6	C5	115.1°	109.0°
N	C6	H61	110.1°	109.6°
N	C6	H62	110.1°	109.2°
N	C7	O	135.1°	120.0°
N	C7	H7	114.0°	120.0°
C3	C2	H21	111.4°	109.6°
C3	C2	H22	111.3°	109.6°
C2	C3	C4	108.3°	109.3°
C2	C3	H31	112.7°	109.4°
C2	C3	H32	112.7°	109.5°
H21	C2	H22	99.0°	109.7°
C4	C3	H31	112.6°	109.5°
C4	C3	H32	112.6°	109.6°
C3	C4	C5	107.6°	109.5°
C3	C4	H41	112.9°	109.4°
C3	C4	H42	112.9°	109.4°
H31	C3	H32	97.7°	109.5°
C5	C4	H41	112.9°	109.5°
C5	C4	H42	112.9°	109.5°
C4	C5	C6	100.9°	109.4°
C4	C5	H51	115.5°	109.5°
C4	C5	H52	115.5°	109.5°
H41	C4	H42	97.6°	109.4°
C6	C5	H51	115.5°	109.6°
C6	C5	H52	115.5°	109.4°
C5	C6	H61	110.1°	109.6°
C5	C6	H62	110.1°	109.6°
H51	C5	H52	94.9°	109.5°
H61	C6	H62	100.2°	109.6°
O	C7	H7	110.9°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N	C6	C7	174.4°	179.8°
N	C2	C3	H21	125.3°	119.7°
N	C2	C3	H22	125.2°	119.8°
N	C2	H21	H22	117.3°	120.4°
N	C2	C3	C4	52.2°	54.6°
N	C2	C3	H31	177.5°	174.6°
N	C2	C3	H32	73.0°	65.4°
C2	N	C6	C5	51.6°	53.3°
C2	N	C6	H61	176.8°	173.3°
C2	N	C6	H62	73.7°	66.5°
C2	N	C7	O	7.9°	180.0°
C2	N	C7	H7	172.0°	0.2°
C6	N	C2	C3	44.7°	53.3°
C6	N	C2	H21	80.6°	66.4°
C6	N	C2	H22	169.9°	173.1°
N	C6	C5	C4	60.3°	54.4°
N	C6	C5	H61	125.2°	120.0°
N	C6	C5	H62	125.3°	119.6°
N	C6	C5	H51	174.5°	174.4°
N	C6	C5	H52	65.0°	65.5°
N	C6	H61	H62	116.0°	119.9°
C6	N	C7	O	165.7°	0.2°
C6	N	C7	H7	14.4°	179.9°
C7	N	C2	C3	141.7°	126.5°
C7	N	C2	H21	93.0°	113.8°
C7	N	C2	H22	16.5°	6.7°
C7	N	C6	C5	134.0°	126.5°
C7	N	C6	H61	8.8°	6.5°
C7	N	C6	H62	100.7°	113.7°
N	C7	O	H7	180.0°	179.8°
C3	C2	H21	H22	117.2°	120.3°
C2	C3	C4	H31	125.3°	119.9°
C2	C3	C4	H32	125.3°	119.9°
C2	C3	H31	H32	118.6°	120.0°
C2	C3	C4	C5	67.2°	61.3°
C2	C3	C4	H41	58.1°	58.7°
C2	C3	C4	H42	167.6°	178.6°
H21	C2	C3	C4	73.1°	65.1°
H21	C2	C3	H31	52.2°	54.8°
H21	C2	C3	H32	161.7°	174.9°
H22	C2	C3	C4	177.5°	174.5°
H22	C2	C3	H31	57.2°	65.6°
H22	C2	C3	H32	52.2°	54.5°
C4	C3	H31	H32	118.5°	120.2°
C3	C4	C5	H41	125.3°	120.0°
C3	C4	C5	H42	125.2°	120.0°
C3	C4	H41	H42	118.8°	119.9°
C3	C4	C5	C6	67.6°	61.2°
C3	C4	C5	H51	167.1°	178.7°
C3	C4	C5	H52	57.7°	58.6°
H31	C3	C4	C5	167.5°	178.8°
H31	C3	C4	H41	67.2°	61.2°
H31	C3	C4	H42	42.3°	58.7°
H32	C3	C4	C5	58.1°	58.6°
H32	C3	C4	H41	176.6°	178.7°
H32	C3	C4	H42	67.1°	61.5°
C5	C4	H41	H42	118.8°	120.0°
C4	C5	C6	H51	125.3°	120.1°
C4	C5	C6	H52	125.3°	119.9°
C4	C5	H51	H52	121.3°	120.0°
C4	C5	C6	H61	174.5°	174.4°
C4	C5	C6	H62	65.0°	65.2°
H41	C4	C5	C6	57.7°	58.8°
H41	C4	C5	H51	67.6°	61.3°
H41	C4	C5	H52	177.0°	178.6°
H42	C4	C5	C6	167.2°	178.7°
H42	C4	C5	H51	41.9°	58.6°
H42	C4	C5	H52	67.5°	61.4°
C6	C5	H51	H52	121.3°	120.0°
C5	C6	H61	H62	116.0°	120.4°
H51	C5	C6	H61	49.2°	65.5°
H51	C5	C6	H62	60.3°	54.9°
H52	C5	C6	H61	60.2°	54.5°
H52	C5	C6	H62	169.7°	174.9°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1LDE