IFG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.47Å	1.49Å
N1	C9	sing	1.47Å	1.47Å
N1	HN1	sing	1.01Å	1.02Å
C2	C3	sing	1.53Å	1.58Å
C2	N2	sing	1.47Å	1.48Å
C2	HC2	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.54Å
C3	O3	sing	1.43Å	1.42Å
C3	HC3	sing	1.09Å	1.11Å
C4	C5	sing	1.53Å	1.53Å
C4	O4	sing	1.43Å	1.43Å
C4	HC4	sing	1.09Å	1.12Å
C5	C6	sing	1.53Å	1.53Å
C5	C9	sing	1.53Å	1.53Å
C5	HC5	sing	1.09Å	1.11Å
C6	O6	sing	1.43Å	1.42Å
C6	HC61	sing	1.09Å	1.12Å
C6	HC62	sing	1.09Å	1.12Å
C7	C8	sing	1.51Å	1.51Å
C7	N2	sing	1.35Å	1.37Å
C7	O7	doub	1.21Å	1.22Å
C8	HC81	sing	1.09Å	1.11Å
C8	HC82	sing	1.09Å	1.11Å
C8	HC83	sing	1.09Å	1.11Å
C9	HC91	sing	1.09Å	1.11Å
C9	HC92	sing	1.09Å	1.12Å
N2	HN2	sing	0.97Å	1.02Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C9	119.0°	107.3°
C2	N1	HN1	108.8°	106.8°
N1	C2	C3	115.5°	109.8°
N1	C2	N2	109.5°	109.4°
N1	C2	HC2	105.1°	109.4°
C9	N1	HN1	108.8°	106.7°
N1	C9	C5	114.6°	109.8°
N1	C9	HC91	110.3°	109.4°
N1	C9	HC92	110.3°	109.5°
C3	C2	N2	109.3°	109.4°
C3	C2	HC2	105.4°	109.4°
C2	C3	C4	113.8°	109.2°
C2	C3	O3	109.3°	109.5°
C2	C3	HC3	106.6°	109.6°
N2	C2	HC2	111.9°	109.4°
C2	N2	C7	119.6°	120.0°
C2	N2	HN2	124.1°	120.0°
C4	C3	O3	109.5°	109.5°
C4	C3	HC3	106.4°	109.6°
C3	C4	C5	108.5°	108.9°
C3	C4	O4	108.7°	109.7°
C3	C4	HC4	110.5°	109.5°
O3	C3	HC3	111.2°	109.5°
C3	O3	HO3	109.3°	106.8°
C5	C4	O4	109.1°	109.6°
C5	C4	HC4	110.1°	109.5°
C4	C5	C6	115.5°	109.6°
C4	C5	C9	112.8°	109.2°
C4	C5	HC5	102.0°	109.5°
O4	C4	HC4	109.9°	109.6°
C4	O4	HO4	108.7°	106.8°
C6	C5	C9	107.1°	109.6°
C6	C5	HC5	108.3°	109.5°
C5	C6	O6	111.3°	109.5°
C5	C6	HC61	111.5°	109.5°
C5	C6	HC62	111.5°	109.4°
C9	C5	HC5	111.2°	109.5°
C5	C9	HC91	110.3°	109.4°
C5	C9	HC92	110.3°	109.4°
O6	C6	HC61	111.5°	109.4°
O6	C6	HC62	111.5°	109.4°
C6	O6	HO6	111.3°	106.9°
HC61	C6	HC62	98.9°	109.5°
C8	C7	N2	124.0°	120.0°
C8	C7	O7	116.4°	120.0°
C7	C8	HC81	107.1°	109.5°
C7	C8	HC82	124.0°	109.5°
C7	C8	HC83	107.1°	109.4°
N2	C7	O7	119.6°	120.0°
C7	N2	HN2	116.3°	120.0°
HC81	C8	HC82	107.1°	109.5°
HC81	C8	HC83	102.6°	109.4°
HC82	C8	HC83	107.1°	109.5°
HC91	C9	HC92	99.9°	109.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C9	HN1	125.3°	114.1°
N1	C2	C3	N2	124.0°	120.1°
N1	C2	C3	HC2	115.6°	120.1°
N1	C2	N2	HC2	116.2°	119.9°
N1	C2	C3	C4	38.4°	61.5°
N1	C2	C3	O3	161.1°	178.6°
N1	C2	C3	HC3	78.6°	58.5°
C2	N1	C9	C5	36.3°	65.6°
N1	C2	N2	C7	51.5°	89.8°
C2	N1	C9	HC91	161.6°	54.5°
C2	N1	C9	HC92	88.9°	174.2°
N1	C2	N2	HN2	128.5°	90.0°
C9	N1	C2	C3	30.0°	65.7°
C9	N1	C2	N2	153.9°	174.3°
C9	N1	C2	HC2	85.7°	54.4°
N1	C9	C5	C4	51.3°	61.3°
N1	C9	C5	C6	179.4°	178.6°
N1	C9	C5	HC91	125.3°	120.1°
N1	C9	C5	HC92	125.3°	120.2°
N1	C9	C5	HC5	62.6°	58.5°
N1	C9	HC91	HC92	116.2°	119.9°
HN1	N1	C2	C3	95.2°	179.8°
HN1	N1	C2	N2	28.7°	60.2°
HN1	N1	C2	HC2	149.1°	59.6°
HN1	N1	C9	C5	89.0°	179.7°
HN1	N1	C9	HC91	36.3°	59.7°
HN1	N1	C9	HC92	145.8°	60.1°
C3	C2	N2	HC2	116.3°	119.9°
C2	C3	C4	O3	122.6°	119.9°
C2	C3	C4	HC3	117.1°	120.0°
C2	C3	O3	HC3	117.4°	120.2°
C2	C3	C4	C5	52.0°	55.7°
C2	C3	C4	O4	66.5°	64.2°
C2	C3	C4	HC4	172.8°	175.5°
C3	C2	N2	C7	76.0°	149.9°
C3	C2	N2	HN2	104.0°	30.2°
C2	C3	O3	HO3	180.0°	60.3°
N2	C2	C3	C4	162.4°	178.4°
N2	C2	C3	O3	74.9°	58.5°
N2	C2	C3	HC3	45.4°	61.6°
C2	N2	C7	C8	178.3°	180.0°
C2	N2	C7	HN2	180.0°	179.8°
C2	N2	C7	O7	2.5°	0.1°
HC2	C2	C3	C4	77.2°	58.6°
HC2	C2	C3	O3	45.5°	61.3°
HC2	C2	C3	HC3	165.8°	178.6°
HC2	C2	N2	C7	167.7°	30.1°
HC2	C2	N2	HN2	12.3°	150.1°
C4	C3	O3	HC3	117.3°	120.1°
C3	C4	C5	O4	118.2°	120.0°
C3	C4	C5	HC4	121.0°	119.8°
C3	C4	O4	HC4	121.1°	120.3°
C3	C4	C5	C6	177.9°	175.6°
C3	C4	C5	C9	58.6°	55.6°
C3	C4	C5	HC5	60.8°	64.3°
C4	C3	O3	HO3	54.7°	180.0°
C3	C4	O4	HO4	180.0°	60.5°
O3	C3	C4	C5	174.6°	175.6°
O3	C3	C4	O4	56.1°	55.7°
O3	C3	C4	HC4	64.6°	64.6°
HC3	C3	C4	C5	65.2°	64.3°
HC3	C3	C4	O4	176.4°	175.8°
HC3	C3	C4	HC4	55.6°	55.5°
HC3	C3	O3	HO3	62.6°	59.9°
C5	C4	O4	HC4	120.8°	120.2°
C4	C5	C6	C9	126.5°	119.8°
C4	C5	C6	HC5	113.5°	120.2°
C4	C5	C9	HC5	113.9°	119.9°
C4	C5	C6	O6	157.8°	179.7°
C4	C5	C6	HC61	77.0°	60.3°
C4	C5	C6	HC62	32.5°	59.7°
C4	C5	C9	HC91	176.6°	58.8°
C4	C5	C9	HC92	74.0°	178.5°
C5	C4	O4	HO4	61.9°	180.0°
O4	C4	C5	C6	63.9°	55.6°
O4	C4	C5	C9	59.6°	64.4°
O4	C4	C5	HC5	179.0°	175.8°
HC4	C4	C5	C6	56.8°	64.6°
HC4	C4	C5	C9	179.7°	175.4°
HC4	C4	C5	HC5	60.3°	55.5°
HC4	C4	O4	HO4	58.9°	59.8°
C6	C5	C9	HC5	118.1°	120.1°
C5	C6	O6	HC61	125.2°	120.1°
C5	C6	O6	HC62	125.3°	120.0°
C5	C6	HC61	HC62	117.5°	120.0°
C6	C5	C9	HC91	55.4°	61.3°
C6	C5	C9	HC92	54.1°	58.5°
C5	C6	O6	HO6	180.0°	180.0°
C9	C5	C6	O6	75.8°	59.9°
C9	C5	C6	HC61	49.5°	179.9°
C9	C5	C6	HC62	159.0°	60.0°
C5	C9	HC91	HC92	116.1°	119.8°
HC5	C5	C6	O6	44.2°	60.2°
HC5	C5	C6	HC61	169.5°	59.8°
HC5	C5	C6	HC62	81.0°	179.9°
HC5	C5	C9	HC91	62.7°	178.6°
HC5	C5	C9	HC92	172.2°	61.7°
O6	C6	HC61	HC62	117.4°	119.9°
HC61	C6	O6	HO6	54.8°	59.9°
HC62	C6	O6	HO6	54.7°	60.1°
C8	C7	N2	O7	179.2°	179.9°
C7	C8	HC81	HC82	134.9°	120.1°
C7	C8	HC81	HC83	112.6°	120.0°
C7	C8	HC82	HC83	125.3°	120.0°
C8	C7	N2	HN2	1.7°	0.2°
N2	C7	C8	HC81	54.7°	180.0°
N2	C7	C8	HC82	180.0°	59.9°
N2	C7	C8	HC83	54.8°	60.1°
O7	C7	C8	HC81	126.1°	0.1°
O7	C7	C8	HC82	0.8°	120.0°
O7	C7	C8	HC83	124.4°	120.0°
O7	C7	N2	HN2	177.5°	179.9°
HC81	C8	HC82	HC83	109.5°	119.9°

Definition date:	2001-06-04
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1JAK