IRI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
IR	N1	sing	0.00Å	2.26Å
IR	N2	sing	0.00Å	2.24Å
IR	N3	sing	0.00Å	2.27Å
IR	N4	sing	0.00Å	2.26Å
IR	N5	sing	0.00Å	2.26Å
IR	N6	sing	0.00Å	2.25Å
N1	HN11	sing	0.00Å	1.00Å
N1	HN12	sing	0.00Å	1.00Å
N1	HN13	sing	0.00Å	1.00Å
N2	HN21	sing	0.00Å	1.00Å
N2	HN22	sing	0.00Å	1.00Å
N2	HN23	sing	0.00Å	1.00Å
N3	HN31	sing	0.00Å	1.00Å
N3	HN32	sing	0.00Å	1.00Å
N3	HN33	sing	0.00Å	1.00Å
N4	HN41	sing	0.00Å	1.00Å
N4	HN42	sing	0.00Å	1.00Å
N4	HN43	sing	0.00Å	1.00Å
N5	HN51	sing	0.00Å	1.00Å
N5	HN52	sing	0.00Å	1.00Å
N5	HN53	sing	0.00Å	1.00Å
N6	HN61	sing	0.00Å	1.00Å
N6	HN62	sing	0.00Å	1.00Å
N6	HN63	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	IR	N2	90.8°	90.0°
N1	IR	N3	177.2°	90.0°
N1	IR	N4	89.2°	90.0°
N1	IR	N5	89.1°	90.0°
N1	IR	N6	91.8°	90.0°
IR	N1	HN11	109.5°	90.0°
IR	N1	HN12	109.5°	90.0°
IR	N1	HN13	109.5°	90.0°
N2	IR	N3	91.7°	90.0°
N2	IR	N4	179.8°	90.0°
N2	IR	N5	90.5°	90.0°
N2	IR	N6	90.1°	90.0°
IR	N2	HN21	109.5°	90.0°
IR	N2	HN22	109.5°	90.0°
IR	N2	HN23	109.5°	90.0°
N3	IR	N4	88.2°	90.0°
N3	IR	N5	89.7°	90.0°
N3	IR	N6	89.3°	90.0°
IR	N3	HN31	109.5°	90.0°
IR	N3	HN32	109.5°	90.0°
IR	N3	HN33	109.5°	90.0°
N4	IR	N5	89.7°	90.0°
N4	IR	N6	89.7°	90.0°
IR	N4	HN41	109.5°	90.0°
IR	N4	HN42	109.5°	90.0°
IR	N4	HN43	109.4°	90.0°
N5	IR	N6	178.9°	90.0°
IR	N5	HN51	109.5°	90.0°
IR	N5	HN52	109.5°	90.0°
IR	N5	HN53	109.5°	90.0°
IR	N6	HN61	109.5°	90.0°
IR	N6	HN62	109.5°	90.0°
IR	N6	HN63	109.5°	90.0°
HN11	N1	HN12	109.5°	90.0°
HN11	N1	HN13	109.5°	90.0°
HN12	N1	HN13	109.4°	90.0°
HN21	N2	HN22	109.5°	90.0°
HN21	N2	HN23	109.5°	90.0°
HN22	N2	HN23	109.4°	90.0°
HN31	N3	HN32	109.5°	90.0°
HN31	N3	HN33	109.4°	90.0°
HN32	N3	HN33	109.4°	90.0°
HN41	N4	HN42	109.5°	90.0°
HN41	N4	HN43	109.5°	90.0°
HN42	N4	HN43	109.5°	90.0°
HN51	N5	HN52	109.5°	90.0°
HN51	N5	HN53	109.5°	90.0°
HN52	N5	HN53	109.5°	90.0°
HN61	N6	HN62	109.5°	90.0°
HN61	N6	HN63	109.5°	90.0°
HN62	N6	HN63	109.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	IR	N2	N3	178.9°	90.0°
N1	IR	N2	N4	108.7°	90.0°
N1	IR	N2	N5	89.1°	90.0°
N1	IR	N2	N6	91.8°	90.0°
N1	IR	N3	N4	24.2°	90.0°
N1	IR	N3	N5	65.4°	90.0°
N1	IR	N3	N6	114.0°	90.0°
N1	IR	N4	N5	89.1°	90.0°
N1	IR	N4	N6	91.8°	90.0°
N1	IR	N5	N6	145.7°	90.0°
IR	N1	HN11	HN12	120.0°	90.0°
IR	N1	HN11	HN13	120.0°	90.0°
IR	N1	HN12	HN13	120.0°	90.0°
N1	IR	N2	HN21	180.0°	90.0°
N1	IR	N2	HN22	60.0°	90.0°
N1	IR	N2	HN23	60.0°	90.0°
N1	IR	N3	HN31	180.0°	90.0°
N1	IR	N3	HN32	60.0°	90.0°
N1	IR	N3	HN33	60.0°	90.0°
N1	IR	N4	HN41	180.0°	90.0°
N1	IR	N4	HN42	60.0°	90.0°
N1	IR	N4	HN43	60.0°	90.0°
N1	IR	N5	HN51	180.0°	90.0°
N1	IR	N5	HN52	60.0°	90.0°
N1	IR	N5	HN53	60.0°	90.0°
N1	IR	N6	HN61	180.0°	90.0°
N1	IR	N6	HN62	60.0°	90.0°
N1	IR	N6	HN63	60.0°	90.0°
N2	IR	N3	N4	179.8°	90.0°
N2	IR	N3	N5	90.5°	90.0°
N2	IR	N3	N6	90.1°	90.0°
N2	IR	N4	N5	162.1°	90.0°
N2	IR	N4	N6	16.9°	90.0°
N2	IR	N5	N6	123.5°	90.0°
N2	IR	N1	HN11	180.0°	90.0°
N2	IR	N1	HN12	60.0°	90.0°
N2	IR	N1	HN13	60.0°	90.0°
IR	N2	HN21	HN22	120.0°	90.0°
IR	N2	HN21	HN23	120.0°	90.0°
IR	N2	HN22	HN23	120.0°	90.0°
N2	IR	N3	HN31	24.1°	90.0°
N2	IR	N3	HN32	96.0°	90.0°
N2	IR	N3	HN33	144.1°	90.0°
N2	IR	N4	HN41	71.3°	90.0°
N2	IR	N4	HN42	168.7°	90.0°
N2	IR	N4	HN43	48.7°	90.0°
N2	IR	N5	HN51	89.2°	90.0°
N2	IR	N5	HN52	30.8°	90.0°
N2	IR	N5	HN53	150.8°	90.0°
N2	IR	N6	HN61	89.2°	90.0°
N2	IR	N6	HN62	150.8°	90.0°
N2	IR	N6	HN63	30.8°	90.0°
N3	IR	N4	N5	89.7°	90.0°
N3	IR	N4	N6	89.3°	90.0°
N3	IR	N5	N6	31.8°	90.0°
N3	IR	N1	HN11	24.1°	90.0°
N3	IR	N1	HN12	96.0°	90.0°
N3	IR	N1	HN13	144.1°	90.0°
N3	IR	N2	HN21	1.1°	90.0°
N3	IR	N2	HN22	121.2°	90.0°
N3	IR	N2	HN23	118.9°	90.0°
IR	N3	HN31	HN32	120.1°	90.0°
IR	N3	HN31	HN33	120.0°	90.0°
IR	N3	HN32	HN33	120.0°	90.0°
N3	IR	N4	HN41	1.1°	90.0°
N3	IR	N4	HN42	118.9°	90.0°
N3	IR	N4	HN43	121.1°	90.0°
N3	IR	N5	HN51	2.5°	90.0°
N3	IR	N5	HN52	122.5°	90.0°
N3	IR	N5	HN53	117.5°	90.0°
N3	IR	N6	HN61	2.5°	90.0°
N3	IR	N6	HN62	117.5°	90.0°
N3	IR	N6	HN63	122.6°	90.0°
N4	IR	N5	N6	56.5°	90.0°
N4	IR	N1	HN11	0.2°	90.0°
N4	IR	N1	HN12	120.2°	90.0°
N4	IR	N1	HN13	119.8°	90.0°
N4	IR	N2	HN21	71.2°	90.0°
N4	IR	N2	HN22	48.8°	90.0°
N4	IR	N2	HN23	168.7°	90.0°
N4	IR	N3	HN31	155.7°	90.0°
N4	IR	N3	HN32	84.2°	90.0°
N4	IR	N3	HN33	35.8°	90.0°
IR	N4	HN41	HN42	120.0°	90.0°
IR	N4	HN41	HN43	120.0°	90.0°
IR	N4	HN42	HN43	120.0°	90.0°
N4	IR	N5	HN51	90.7°	90.0°
N4	IR	N5	HN52	149.3°	90.0°
N4	IR	N5	HN53	29.2°	90.0°
N4	IR	N6	HN61	90.8°	90.0°
N4	IR	N6	HN62	29.2°	90.0°
N4	IR	N6	HN63	149.2°	90.0°
N5	IR	N1	HN11	89.5°	90.0°
N5	IR	N1	HN12	30.5°	90.0°
N5	IR	N1	HN13	150.5°	90.0°
N5	IR	N2	HN21	90.9°	90.0°
N5	IR	N2	HN22	149.1°	90.0°
N5	IR	N2	HN23	29.2°	90.0°
N5	IR	N3	HN31	114.6°	90.0°
N5	IR	N3	HN32	5.4°	90.0°
N5	IR	N3	HN33	125.4°	90.0°
N5	IR	N4	HN41	90.9°	90.0°
N5	IR	N4	HN42	29.1°	90.0°
N5	IR	N4	HN43	149.2°	90.0°
IR	N5	HN51	HN52	120.0°	90.0°
IR	N5	HN51	HN53	120.0°	90.0°
IR	N5	HN52	HN53	120.0°	90.0°
N5	IR	N6	HN61	34.3°	90.0°
N5	IR	N6	HN62	85.7°	90.0°
N5	IR	N6	HN63	154.3°	90.0°
N6	IR	N1	HN11	89.9°	90.0°
N6	IR	N1	HN12	150.1°	90.0°
N6	IR	N1	HN13	30.1°	90.0°
N6	IR	N2	HN21	88.2°	90.0°
N6	IR	N2	HN22	31.8°	90.0°
N6	IR	N2	HN23	151.8°	90.0°
N6	IR	N3	HN31	66.0°	90.0°
N6	IR	N3	HN32	174.0°	90.0°
N6	IR	N3	HN33	54.0°	90.0°
N6	IR	N4	HN41	88.2°	90.0°
N6	IR	N4	HN42	151.8°	90.0°
N6	IR	N4	HN43	31.8°	90.0°
N6	IR	N5	HN51	34.3°	90.0°
N6	IR	N5	HN52	154.3°	90.0°
N6	IR	N5	HN53	85.7°	90.0°
IR	N6	HN61	HN62	120.0°	90.0°
IR	N6	HN61	HN63	120.0°	90.0°
IR	N6	HN62	HN63	120.0°	90.0°
HN11	N1	HN12	HN13	120.0°	90.0°
HN21	N2	HN22	HN23	120.0°	90.0°
HN31	N3	HN32	HN33	119.9°	90.0°
HN41	N4	HN42	HN43	120.0°	90.0°
HN51	N5	HN52	HN53	120.0°	90.0°
HN61	N6	HN62	HN63	120.0°	90.0°

Definition date:	2001-04-02
Last modified:	2023-09-23
Release status:	REL
Processing site:	RCSB
Derived from:	1ICG