GI1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.48Å	1.49Å
C1	N10	doub	1.39Å	1.36Å	Aromatic
C1	N1	sing	1.38Å	1.35Å	Aromatic
C2	O2	sing	1.42Å	1.42Å
C2	C3	sing	1.53Å	1.53Å
C2	H2	sing	1.10Å	1.11Å
O2	HA	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.43Å
C3	C4	sing	1.54Å	1.54Å
C3	H3	sing	1.10Å	1.12Å
O3	HB	sing	0.97Å	0.95Å
C4	O4	sing	1.43Å	1.43Å
C4	C5	sing	1.55Å	1.55Å
C4	H4	sing	1.10Å	1.12Å
C80	N10	sing	1.39Å	1.35Å	Aromatic
C80	C7	doub	1.35Å	1.38Å	Aromatic
C80	H80	sing	1.08Å	1.10Å
N10	C5	sing	1.45Å	1.49Å
O4	HC	sing	0.97Å	0.95Å
C5	C6	sing	1.53Å	1.50Å
C5	H5	sing	1.10Å	1.11Å
C6	O6	sing	1.41Å	1.43Å
C6	H6C1	sing	1.09Å	1.12Å
C6	H6C2	sing	1.09Å	1.12Å
O6	H6	sing	0.97Å	0.95Å
N1	C7	sing	1.39Å	1.34Å	Aromatic
N1	H1	sing	1.01Å	1.02Å
C7	C8	sing	1.48Å	1.49Å
C8	O8	sing	1.43Å	1.43Å
C8	O9	sing	1.43Å	1.44Å
C8	H8	sing	1.10Å	1.11Å
O8	HD	sing	0.97Å	0.95Å
C9	O9	sing	1.42Å	1.45Å
C9	H9C1	sing	1.09Å	1.11Å
C9	H9C2	sing	1.09Å	1.11Å
C9	H9C3	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	N10	126.5°	125.2°
C2	C1	N1	125.0°	128.5°
C1	C2	O2	111.1°	107.6°
C1	C2	C3	111.1°	110.1°
C1	C2	H2	106.4°	109.1°
N10	C1	N1	108.5°	106.3°
C1	N10	C80	109.4°	107.8°
C1	N10	C5	121.7°	123.4°
C1	N1	C7	107.0°	109.4°
C1	N1	H1	113.1°	127.8°
O2	C2	C3	106.8°	110.2°
O2	C2	H2	110.8°	107.9°
C2	O2	HA	111.1°	106.8°
C3	C2	H2	110.8°	111.8°
C2	C3	O3	107.3°	107.0°
C2	C3	C4	110.9°	111.8°
C2	C3	H3	111.8°	111.6°
O3	C3	C4	114.4°	109.2°
O3	C3	H3	108.1°	106.4°
C3	O3	HB	107.3°	106.6°
C4	C3	H3	104.4°	110.6°
C3	C4	O4	112.3°	108.9°
C3	C4	C5	109.1°	112.5°
C3	C4	H4	108.6°	109.6°
O4	C4	C5	111.8°	107.7°
O4	C4	H4	105.7°	106.9°
C4	O4	HC	112.3°	106.3°
C5	C4	H4	109.1°	111.0°
C4	C5	N10	105.5°	110.4°
C4	C5	C6	112.6°	110.0°
C4	C5	H5	110.4°	109.0°
N10	C80	C7	105.3°	109.0°
N10	C80	H80	126.4°	121.0°
C80	N10	C5	128.9°	128.3°
C7	C80	H80	128.3°	130.0°
C80	C7	N1	109.8°	107.4°
C80	C7	C8	119.2°	129.6°
N10	C5	C6	110.5°	111.4°
N10	C5	H5	112.5°	108.6°
C6	C5	H5	105.4°	107.4°
C5	C6	O6	111.8°	108.4°
C5	C6	H6C1	111.4°	109.7°
C5	C6	H6C2	111.4°	109.8°
O6	C6	H6C1	111.3°	109.5°
O6	C6	H6C2	111.4°	109.5°
C6	O6	H6	111.8°	107.2°
H6C1	C6	H6C2	99.0°	110.0°
C7	N1	H1	113.1°	122.8°
N1	C7	C8	130.9°	123.0°
C7	C8	O8	113.8°	111.1°
C7	C8	O9	110.1°	108.5°
C7	C8	H8	107.2°	109.1°
O8	C8	O9	113.0°	111.5°
O8	C8	H8	104.1°	107.4°
C8	O8	HD	113.8°	108.6°
O9	C8	H8	108.2°	109.2°
C8	O9	C9	119.0°	112.9°
O9	C9	H9C1	108.8°	109.5°
O9	C9	H9C2	108.8°	109.5°
O9	C9	H9C3	119.0°	109.0°
H9C1	C9	H9C2	101.2°	110.1°
H9C1	C9	H9C3	108.8°	109.4°
H9C2	C9	H9C3	108.8°	109.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	N10	N1	178.1°	178.8°
C1	C2	O2	C3	121.3°	120.1°
C1	C2	O2	H2	118.0°	117.5°
C1	C2	C3	H2	118.0°	121.4°
C1	C2	O2	HA	180.0°	169.0°
C1	C2	C3	O3	158.0°	162.8°
C1	C2	C3	C4	32.4°	43.3°
C1	C2	C3	H3	83.6°	81.2°
C2	C1	N10	C80	177.3°	178.7°
C2	C1	N10	C5	0.4°	6.4°
C2	C1	N1	C7	177.1°	179.2°
C2	C1	N1	H1	57.6°	1.3°
N10	C1	C2	O2	119.4°	138.1°
N10	C1	C2	C3	0.7°	18.0°
N10	C1	C2	H2	120.0°	105.1°
C1	N10	C5	C4	30.5°	19.7°
C1	N10	C80	C5	177.5°	171.7°
C1	N10	C80	C7	0.3°	2.1°
C1	N10	C80	H80	179.7°	177.5°
C1	N10	C5	C6	152.6°	142.1°
C1	N10	C5	H5	89.9°	99.8°
N10	C1	N1	C7	1.0°	2.1°
N10	C1	N1	H1	124.2°	180.0°
N1	C1	C2	O2	62.8°	43.4°
N1	C1	C2	C3	178.5°	163.6°
N1	C1	C2	H2	57.9°	73.4°
N1	C1	N10	C80	0.9°	2.5°
C1	N1	C7	C80	0.9°	0.8°
N1	C1	N10	C5	178.5°	174.8°
C1	N1	C7	H1	125.3°	178.1°
C1	N1	C7	C8	177.4°	178.3°
O2	C2	C3	H2	120.7°	120.0°
O2	C2	C3	O3	80.7°	78.6°
O2	C2	C3	C4	153.7°	161.8°
O2	C2	C3	H3	37.7°	37.4°
C3	C2	O2	HA	58.7°	49.0°
C2	C3	O3	C4	123.4°	121.2°
C2	C3	O3	H3	120.8°	119.4°
C2	C3	C4	H3	120.5°	125.0°
C2	C3	O3	HB	180.0°	164.5°
C2	C3	C4	O4	170.2°	179.3°
C2	C3	C4	C5	65.2°	60.0°
C2	C3	C4	H4	53.7°	64.0°
H2	C2	O2	HA	61.9°	73.4°
H2	C2	C3	O3	39.9°	41.4°
H2	C2	C3	C4	85.6°	78.1°
H2	C2	C3	H3	158.3°	157.4°
O3	C3	C4	H3	118.0°	116.7°
O3	C3	C4	O4	48.7°	62.4°
O3	C3	C4	C5	173.3°	178.3°
O3	C3	C4	H4	67.8°	54.3°
C4	C3	O3	HB	56.6°	74.3°
C3	C4	O4	C5	123.1°	122.2°
C3	C4	O4	H4	118.3°	118.4°
C3	C4	C5	H4	118.5°	123.2°
C3	C4	C5	N10	61.4°	45.6°
C3	C4	O4	HC	180.0°	161.9°
C3	C4	C5	C6	178.0°	168.9°
C3	C4	C5	H5	60.5°	73.6°
H3	C3	O3	HB	59.2°	45.1°
H3	C3	C4	O4	69.2°	54.3°
H3	C3	C4	C5	55.4°	65.0°
H3	C3	C4	H4	174.2°	171.0°
O4	C4	C5	H4	116.6°	116.7°
O4	C4	C5	N10	173.7°	165.7°
O4	C4	C5	C6	53.1°	71.0°
O4	C4	C5	H5	64.4°	46.5°
C4	C5	N10	C80	146.6°	169.8°
C4	C5	N10	C6	122.0°	122.5°
C4	C5	N10	H5	120.4°	119.5°
C5	C4	O4	HC	56.9°	39.7°
C4	C5	C6	H5	120.4°	118.5°
C4	C5	C6	O6	70.5°	59.5°
C4	C5	C6	H6C1	54.7°	60.0°
C4	C5	C6	H6C2	164.2°	179.0°
H4	C4	C5	N10	57.2°	77.6°
H4	C4	O4	HC	61.7°	79.7°
H4	C4	C5	C6	63.5°	45.7°
H4	C4	C5	H5	179.0°	163.2°
N10	C80	C7	H80	180.0°	179.6°
C80	N10	C5	C6	24.6°	47.3°
C80	N10	C5	H5	92.9°	70.8°
N10	C80	C7	N1	0.3°	0.8°
N10	C80	C7	C8	177.4°	179.9°
C7	C80	N10	C5	177.8°	173.9°
C80	C7	N1	C8	176.6°	179.1°
C80	C7	N1	H1	124.4°	178.9°
C80	C7	C8	O8	36.3°	118.2°
C80	C7	C8	O9	164.3°	118.9°
C80	C7	C8	H8	78.2°	0.0°
H80	C80	N10	C5	2.2°	5.8°
H80	C80	C7	N1	179.7°	178.8°
H80	C80	C7	C8	2.6°	0.2°
N10	C5	C6	H5	121.8°	118.8°
N10	C5	C6	O6	47.2°	63.2°
N10	C5	C6	H6C1	172.5°	177.3°
N10	C5	C6	H6C2	78.1°	56.3°
C5	C6	O6	H6C1	125.3°	119.7°
C5	C6	O6	H6C2	125.3°	119.7°
C5	C6	H6C1	H6C2	117.3°	120.8°
C5	C6	O6	H6	180.0°	7.5°
H5	C5	C6	O6	169.0°	178.0°
H5	C5	C6	H6C1	65.7°	58.5°
H5	C5	C6	H6C2	43.8°	62.5°
O6	C6	H6C1	H6C2	117.2°	120.3°
H6C1	C6	O6	H6	54.7°	112.1°
H6C2	C6	O6	H6	54.7°	127.3°
N1	C7	C8	O8	147.4°	62.9°
N1	C7	C8	O9	19.4°	60.0°
N1	C7	C8	H8	98.1°	178.9°
H1	N1	C7	C8	52.2°	0.2°
C7	C8	O8	O9	126.5°	121.2°
C7	C8	O8	H8	116.4°	119.2°
C7	C8	O9	H8	116.9°	118.8°
C7	C8	O8	HD	180.0°	28.8°
C7	C8	O9	C9	89.9°	180.0°
O8	C8	O9	H8	114.6°	118.5°
O8	C8	O9	C9	38.5°	57.3°
O9	C8	O8	HD	53.5°	92.4°
C8	O9	C9	H9C1	54.7°	80.8°
C8	O9	C9	H9C2	54.7°	158.5°
C8	O9	C9	H9C3	180.0°	38.9°
H8	C8	O8	HD	63.6°	148.0°
H8	C8	O9	C9	153.1°	61.2°
O9	C9	H9C1	H9C2	114.5°	120.4°
O9	C9	H9C1	H9C3	131.0°	119.4°
O9	C9	H9C2	H9C3	131.0°	119.4°
H9C1	C9	H9C2	H9C3	114.5°	120.1°

Definition date:	2006-10-06
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2J7D