6GJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C2	sing	1.43Å	1.45Å
C12	C11	sing	1.53Å	1.52Å
O1	C1	sing	1.43Å	1.44Å
C10	C9	sing	1.53Å	1.55Å
C10	C11	sing	1.53Å	1.54Å
C9	N8	sing	1.46Å	1.48Å
C2	C1	sing	1.53Å	1.54Å
C2	C3	sing	1.53Å	1.56Å
C1	N5	sing	1.49Å	1.46Å
O3	C3	sing	1.43Å	1.44Å
N8	C7	doub	1.30Å	1.30Å
C3	C4	sing	1.53Å	1.50Å
N5	C7	sing	1.37Å	1.34Å
N5	C5	sing	1.46Å	1.49Å
C7	S6	sing	1.76Å	1.69Å
C4	C5	sing	1.53Å	1.54Å
C4	O4	sing	1.43Å	1.44Å
C5	C6	sing	1.53Å	1.55Å
S6	C6	sing	1.82Å	1.77Å
C1	H1	sing	1.09Å	1.10Å
O1	H2	sing	0.97Å	0.95Å
C2	H3	sing	1.09Å	1.10Å
O2	H4	sing	0.97Å	0.95Å
C9	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C6	H14	sing	1.09Å	1.10Å
C6	H15	sing	1.09Å	1.10Å
C5	H16	sing	1.09Å	1.10Å
C4	H17	sing	1.09Å	1.10Å
O4	H18	sing	0.97Å	0.95Å
C3	H19	sing	1.09Å	1.10Å
O3	H20	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C2	C1	115.7°	109.4°
O2	C2	C3	117.2°	109.4°
O2	C2	H3	98.8°	109.3°
C2	O2	H4	109.5°	114.0°
C12	C11	C10	112.9°	109.4°
C12	C11	H9	108.6°	109.5°
C12	C11	H10	108.6°	109.5°
C11	C12	H11	109.5°	109.5°
C11	C12	H12	109.5°	109.5°
C11	C12	H13	109.5°	109.5°
O1	C1	C2	101.3°	109.9°
O1	C1	N5	103.8°	109.8°
O1	C1	H1	112.9°	109.8°
C1	O1	H2	109.5°	114.0°
C9	C10	C11	114.9°	109.5°
C10	C9	N8	108.6°	109.5°
C10	C9	H5	109.7°	109.5°
C10	C9	H6	109.7°	109.5°
C9	C10	H7	108.1°	109.5°
C9	C10	H8	108.1°	109.5°
C11	C10	H7	108.1°	109.5°
C11	C10	H8	108.1°	109.5°
C10	C11	H9	108.6°	109.5°
C10	C11	H10	108.6°	109.4°
C9	N8	C7	140.0°	120.0°
N8	C9	H5	109.7°	109.5°
N8	C9	H6	109.7°	109.5°
C1	C2	C3	120.7°	109.8°
C2	C1	N5	114.1°	107.5°
C2	C1	H1	111.3°	109.9°
C1	C2	H3	98.3°	109.4°
C2	C3	O3	114.0°	109.4°
C2	C3	C4	111.4°	109.9°
C3	C2	H3	98.2°	109.4°
C2	C3	H19	105.6°	109.4°
C1	N5	C7	124.3°	122.5°
C1	N5	C5	120.3°	121.0°
N5	C1	H1	112.6°	109.9°
O3	C3	C4	112.0°	109.4°
O3	C3	H19	107.0°	109.3°
C3	O3	H20	109.5°	113.9°
N8	C7	N5	131.4°	124.9°
N8	C7	S6	118.6°	125.0°
C3	C4	C5	106.4°	108.9°
C3	C4	O4	115.9°	109.5°
C3	C4	H17	107.3°	109.6°
C4	C3	H19	106.3°	109.3°
C7	N5	C5	114.5°	116.5°
N5	C7	S6	110.0°	110.1°
N5	C5	C4	112.5°	109.2°
N5	C5	C6	108.8°	112.7°
N5	C5	H16	107.9°	108.3°
C7	S6	C6	97.4°	96.2°
C5	C4	O4	111.8°	109.6°
C4	C5	C6	112.7°	110.6°
C4	C5	H16	107.4°	107.7°
C5	C4	H17	106.8°	109.6°
O4	C4	H17	108.1°	109.6°
C4	O4	H18	109.5°	114.0°
C5	C6	S6	100.4°	104.4°
C5	C6	H14	111.7°	110.4°
C5	C6	H15	111.7°	110.6°
C6	C5	H16	107.2°	108.3°
S6	C6	H14	111.7°	110.5°
S6	C6	H15	111.7°	110.4°
H5	C9	H6	109.5°	109.5°
H7	C10	H8	109.5°	109.4°
H9	C11	H10	109.5°	109.5°
H11	C12	H12	109.5°	109.5°
H11	C12	H13	109.5°	109.5°
H12	C12	H13	109.5°	109.4°
H14	C6	H15	109.5°	110.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C2	C1	O1	88.2°	67.1°
O2	C2	C1	C3	151.3°	120.1°
O2	C2	C1	H3	104.0°	119.8°
O2	C2	C3	H3	104.3°	119.8°
O2	C2	C1	N5	161.0°	173.4°
O2	C2	C3	O3	49.0°	56.9°
O2	C2	C3	C4	176.9°	177.0°
O2	C2	C1	H1	32.1°	53.9°
O2	C2	C3	H19	68.2°	62.9°
C12	C11	C10	C9	149.8°	180.0°
C12	C11	C10	H9	120.5°	120.0°
C12	C11	C10	H10	120.5°	120.0°
C12	C11	C10	H7	89.3°	60.0°
C12	C11	C10	H8	29.1°	60.0°
C12	C11	H9	H10	118.5°	120.0°
C11	C12	H11	H12	120.0°	120.0°
C11	C12	H11	H13	120.0°	120.0°
C11	C12	H12	H13	120.0°	120.0°
O1	C1	C2	N5	110.8°	119.5°
O1	C1	C2	H1	120.3°	121.0°
O1	C1	C2	C3	120.5°	172.8°
O1	C1	N5	H1	122.5°	120.9°
O1	C1	N5	C7	66.0°	9.2°
O1	C1	N5	C5	125.2°	170.6°
O1	C1	C2	H3	15.8°	52.7°
C9	C10	C11	H7	120.8°	120.0°
C9	C10	C11	H8	120.8°	120.0°
C10	C9	N8	H5	119.9°	120.0°
C10	C9	N8	H6	119.9°	120.0°
C10	C9	N8	C7	95.1°	115.6°
C10	C9	H5	H6	120.4°	120.0°
C9	C10	H7	H8	117.5°	120.0°
C9	C10	C11	H9	89.7°	60.0°
C9	C10	C11	H10	29.4°	60.0°
C11	C10	C9	N8	89.6°	180.0°
C11	C10	C9	H5	30.3°	60.0°
C11	C10	C9	H6	150.6°	60.0°
C11	C10	H7	H8	117.5°	120.0°
C10	C11	H9	H10	118.4°	120.0°
C10	C11	C12	H11	180.0°	60.0°
C10	C11	C12	H12	60.0°	60.0°
C10	C11	C12	H13	60.0°	180.0°
C9	N8	C7	N5	2.5°	41.7°
C9	N8	C7	S6	179.9°	138.2°
N8	C9	H5	H6	120.4°	120.0°
N8	C9	C10	H7	31.2°	60.0°
N8	C9	C10	H8	149.6°	60.0°
C1	C2	C3	H3	104.7°	120.1°
C2	C1	N5	H1	128.2°	119.5°
C1	C2	C3	O3	160.1°	177.0°
C1	C2	C3	C4	32.2°	62.9°
C2	C1	N5	C7	175.3°	128.8°
C2	C1	N5	C5	15.9°	51.0°
C2	C1	O1	H2	180.0°	57.0°
C1	C2	O2	H4	180.0°	60.0°
C1	C2	C3	H19	82.8°	57.2°
C3	C2	C1	N5	9.6°	53.3°
C2	C3	O3	C4	127.6°	120.4°
C2	C3	O3	H19	116.3°	119.8°
C2	C3	C4	H19	114.5°	120.1°
C2	C3	C4	C5	56.7°	61.8°
C2	C3	C4	O4	68.4°	58.0°
C3	C2	C1	H1	119.2°	66.2°
C3	C2	O2	H4	27.6°	179.7°
C2	C3	C4	H17	170.8°	178.3°
C2	C3	O3	H20	180.0°	60.0°
C1	N5	C7	N8	8.7°	4.2°
C1	N5	C7	C5	169.5°	179.8°
C1	N5	C7	S6	168.9°	175.8°
C1	N5	C5	C4	44.6°	51.2°
C1	N5	C5	C6	170.2°	174.5°
N5	C1	O1	H2	61.4°	175.0°
N5	C1	C2	H3	95.1°	66.8°
C1	N5	C5	H16	73.7°	65.7°
O3	C3	C4	H19	116.5°	119.7°
O3	C3	C4	C5	174.4°	178.0°
O3	C3	C4	O4	60.5°	62.1°
O3	C3	C2	H3	55.3°	62.9°
O3	C3	C4	H17	60.3°	58.1°
N8	C7	N5	S6	177.5°	180.0°
N8	C7	N5	C5	178.1°	176.0°
N8	C7	S6	C6	164.7°	178.7°
C7	N8	C9	H5	145.1°	124.4°
C7	N8	C9	H6	24.8°	4.4°
C3	C4	C5	N5	64.4°	52.9°
C3	C4	C5	O4	127.5°	119.8°
C3	C4	C5	H17	114.4°	119.9°
C3	C4	O4	H17	120.4°	120.3°
C3	C4	C5	C6	172.1°	177.5°
C4	C3	C2	H3	72.5°	57.2°
C3	C4	C5	H16	54.2°	64.4°
C3	C4	O4	H18	180.0°	60.6°
C4	C3	O3	H20	52.4°	179.5°
C7	N5	C5	C4	145.5°	128.5°
C7	N5	C5	C6	19.9°	5.2°
N5	C7	S6	C6	17.4°	1.3°
C7	N5	C1	H1	56.5°	111.7°
C7	N5	C5	H16	96.2°	114.5°
C5	N5	C7	S6	0.6°	3.9°
N5	C5	C4	C6	123.5°	124.6°
N5	C5	C4	H16	118.6°	117.3°
N5	C5	C4	O4	63.1°	66.9°
N5	C5	C6	H16	116.5°	119.7°
N5	C5	C6	S6	28.7°	3.8°
C5	N5	C1	H1	112.4°	68.5°
N5	C5	C6	H14	147.2°	115.0°
N5	C5	C6	H15	89.8°	122.5°
N5	C5	C4	H17	178.8°	172.8°
C7	S6	C6	C5	26.3°	1.4°
C7	S6	C6	H14	144.9°	117.3°
C7	S6	C6	H15	92.2°	120.3°
C5	C4	O4	H17	117.3°	120.3°
C4	C5	C6	H16	118.0°	117.7°
C4	C5	C6	S6	154.2°	126.3°
C4	C5	C6	H14	87.2°	7.5°
C4	C5	C6	H15	35.7°	115.0°
C5	C4	O4	H18	57.7°	180.0°
C5	C4	C3	H19	57.9°	58.3°
O4	C4	C5	C6	60.3°	57.7°
O4	C4	C5	H16	178.2°	175.8°
O4	C4	C3	H19	177.1°	178.1°
C5	C6	S6	H14	118.6°	118.7°
C5	C6	S6	H15	118.5°	118.8°
C5	C6	H14	H15	124.2°	122.6°
C6	C5	C4	H17	57.7°	62.6°
S6	C6	H14	H15	124.2°	122.4°
S6	C6	C5	H16	87.8°	116.0°
H1	C1	O1	H2	60.9°	64.0°
H1	C1	C2	H3	136.1°	173.7°
H3	C2	O2	H4	76.4°	59.9°
H3	C2	C3	H19	172.5°	177.3°
H5	C9	C10	H7	151.1°	180.0°
H5	C9	C10	H8	90.5°	60.0°
H6	C9	C10	H7	88.6°	60.0°
H6	C9	C10	H8	29.8°	NaN°
H7	C10	C11	H9	31.1°	180.0°
H7	C10	C11	H10	150.2°	60.0°
H8	C10	C11	H9	149.6°	60.0°
H8	C10	C11	H10	91.4°	180.0°
H9	C11	C12	H11	59.5°	180.0°
H9	C11	C12	H12	60.5°	60.0°
H9	C11	C12	H13	179.5°	60.0°
H10	C11	C12	H11	59.5°	59.9°
H10	C11	C12	H12	179.5°	179.9°
H10	C11	C12	H13	60.5°	60.1°
H11	C12	H12	H13	120.0°	120.0°
H14	C6	C5	H16	30.7°	125.3°
H15	C6	C5	H16	153.7°	2.7°
H16	C5	C4	H17	60.2°	55.5°
H17	C4	O4	H18	59.6°	59.8°
H17	C4	C3	H19	56.3°	61.6°
H19	C3	O3	H20	63.7°	59.8°

Release date:	2014-04-23
Definition date:	2013-07-26
Last modified:	2014-04-18
Release status:	REL
Processing site:	PDBJ
Derived from:	3WF1