6DJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C2	sing	1.43Å	1.44Å
C11	C10	sing	1.53Å	1.53Å
C11	C12	sing	1.53Å	1.52Å
C1	C2	sing	1.53Å	1.53Å
C1	N5	sing	1.49Å	1.45Å
C10	C9	sing	1.53Å	1.56Å
C2	C3	sing	1.53Å	1.53Å
C9	N8	sing	1.46Å	1.46Å
N8	C7	doub	1.30Å	1.26Å
N5	C7	sing	1.37Å	1.34Å
N5	C5	sing	1.46Å	1.47Å
C7	S6	sing	1.76Å	1.68Å
C3	O3	sing	1.43Å	1.45Å
C3	C4	sing	1.53Å	1.53Å
C5	C4	sing	1.53Å	1.55Å
C5	C6	sing	1.53Å	1.54Å
C4	O4	sing	1.43Å	1.43Å
S6	C6	sing	1.82Å	1.77Å
O2	H1	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
O3	H4	sing	0.97Å	0.95Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
O4	H9	sing	0.97Å	0.95Å
C6	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.09Å	1.10Å
C11	H16	sing	1.09Å	1.10Å
C11	H17	sing	1.09Å	1.10Å
C12	H18	sing	1.09Å	1.10Å
C12	H19	sing	1.09Å	1.10Å
C12	H20	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C2	C1	106.9°	109.4°
O2	C2	C3	109.9°	109.4°
C2	O2	H1	109.5°	114.0°
O2	C2	H2	109.9°	109.4°
C10	C11	C12	113.7°	109.5°
C11	C10	C9	113.7°	109.5°
C11	C10	H14	108.4°	109.5°
C11	C10	H15	108.4°	109.5°
C10	C11	H16	108.4°	109.5°
C10	C11	H17	108.4°	109.5°
C12	C11	H16	108.4°	109.5°
C12	C11	H17	108.4°	109.5°
C11	C12	H18	109.5°	109.5°
C11	C12	H19	109.5°	109.4°
C11	C12	H20	109.4°	109.5°
C2	C1	N5	105.7°	107.5°
C1	C2	C3	112.9°	109.7°
C1	C2	H2	108.6°	109.5°
C2	C1	H5	110.4°	109.8°
C2	C1	H6	110.4°	109.9°
C1	N5	C7	130.1°	122.5°
C1	N5	C5	112.0°	121.1°
N5	C1	H5	110.4°	109.9°
N5	C1	H6	110.4°	109.9°
C10	C9	N8	102.2°	109.5°
C10	C9	H12	111.3°	109.5°
C10	C9	H13	111.2°	109.4°
C9	C10	H14	108.4°	109.5°
C9	C10	H15	108.4°	109.4°
C2	C3	O3	108.1°	109.4°
C2	C3	C4	112.2°	109.9°
C3	C2	H2	108.6°	109.4°
C2	C3	H3	107.1°	109.4°
C9	N8	C7	128.6°	120.0°
N8	C9	H12	111.3°	109.5°
N8	C9	H13	111.3°	109.5°
N8	C7	N5	122.1°	125.0°
N8	C7	S6	126.4°	124.9°
C7	N5	C5	117.9°	116.4°
N5	C7	S6	111.5°	110.1°
N5	C5	C4	102.9°	109.2°
N5	C5	C6	105.9°	112.7°
N5	C5	H7	112.0°	108.2°
C7	S6	C6	95.5°	96.2°
O3	C3	C4	114.0°	109.4°
O3	C3	H3	108.1°	109.4°
C3	O3	H4	109.5°	114.0°
C3	C4	C5	111.1°	108.9°
C3	C4	O4	109.3°	109.5°
C4	C3	H3	107.1°	109.3°
C3	C4	H8	108.5°	109.6°
C4	C5	C6	114.0°	110.6°
C5	C4	O4	109.5°	109.5°
C4	C5	H7	110.8°	108.2°
C5	C4	H8	108.4°	109.6°
C5	C6	S6	106.2°	104.4°
C6	C5	H7	110.9°	107.7°
C5	C6	H10	110.3°	110.4°
C5	C6	H11	110.3°	110.4°
O4	C4	H8	110.0°	109.7°
C4	O4	H9	109.5°	114.0°
S6	C6	H10	110.3°	110.5°
S6	C6	H11	110.3°	110.5°
H5	C1	H6	109.5°	109.9°
H10	C6	H11	109.4°	110.5°
H12	C9	H13	109.5°	109.5°
H14	C10	H15	109.5°	109.5°
H16	C11	H17	109.5°	109.4°
H18	C12	H19	109.5°	109.5°
H18	C12	H20	109.5°	109.5°
H19	C12	H20	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C2	C1	C3	121.0°	120.1°
O2	C2	C1	H2	118.5°	119.9°
O2	C2	C1	N5	174.3°	173.4°
O2	C2	C3	H2	120.2°	119.8°
O2	C2	C3	O3	68.6°	56.9°
O2	C2	C3	C4	164.8°	177.0°
O2	C2	C3	H3	47.7°	62.9°
O2	C2	C1	H5	66.3°	67.1°
O2	C2	C1	H6	54.9°	53.9°
C10	C11	C12	H16	120.6°	120.0°
C10	C11	C12	H17	120.6°	120.0°
C11	C10	C9	H14	120.6°	120.0°
C11	C10	C9	H15	120.6°	120.0°
C11	C10	C9	N8	179.1°	180.0°
C11	C10	C9	H12	62.1°	60.0°
C11	C10	C9	H13	60.3°	60.0°
C11	C10	H14	H15	118.1°	120.0°
C10	C11	H16	H17	118.1°	120.0°
C10	C11	C12	H18	180.0°	60.0°
C10	C11	C12	H19	60.0°	60.0°
C10	C11	C12	H20	60.0°	180.0°
C12	C11	C10	C9	147.5°	180.0°
C12	C11	C10	H14	26.9°	60.0°
C12	C11	C10	H15	91.8°	60.0°
C12	C11	H16	H17	118.1°	120.0°
C11	C12	H18	H19	120.0°	120.0°
C11	C12	H18	H20	120.0°	120.0°
C11	C12	H19	H20	120.0°	120.0°
C2	C1	N5	H5	119.4°	119.5°
C2	C1	N5	H6	119.4°	119.5°
C1	C2	C3	H2	120.5°	120.1°
C2	C1	N5	C7	109.7°	128.7°
C2	C1	N5	C5	70.6°	51.0°
C1	C2	C3	O3	172.2°	177.0°
C1	C2	C3	C4	45.6°	62.9°
C1	C2	O2	H1	180.0°	59.7°
C1	C2	C3	H3	71.6°	57.1°
C2	C1	H5	H6	121.7°	121.0°
N5	C1	C2	C3	53.3°	53.3°
C1	N5	C7	N8	1.4°	4.2°
C1	N5	C7	C5	179.6°	179.8°
C1	N5	C7	S6	177.5°	175.8°
C1	N5	C5	C4	73.6°	51.2°
C1	N5	C5	C6	166.5°	174.6°
N5	C1	C2	H2	67.2°	66.7°
N5	C1	H5	H6	121.8°	121.0°
C1	N5	C5	H7	45.5°	66.4°
C10	C9	N8	H12	118.8°	120.1°
C10	C9	N8	H13	118.8°	119.9°
C10	C9	N8	C7	91.1°	115.0°
C10	C9	H12	H13	123.4°	120.0°
C9	C10	H14	H15	118.1°	120.0°
C9	C10	C11	H16	26.9°	59.9°
C9	C10	C11	H17	91.9°	60.0°
C2	C3	O3	C4	125.5°	120.5°
C2	C3	O3	H3	115.6°	119.8°
C2	C3	C4	H3	117.2°	120.1°
C2	C3	C4	C5	49.1°	61.8°
C2	C3	C4	O4	71.9°	58.0°
C3	C2	O2	H1	57.1°	180.0°
C2	C3	O3	H4	180.0°	60.0°
C3	C2	C1	H5	172.7°	172.8°
C3	C2	C1	H6	66.1°	66.2°
C2	C3	C4	H8	168.1°	178.4°
C9	N8	C7	N5	176.7°	180.0°
C9	N8	C7	S6	2.1°	0.0°
N8	C9	H12	H13	123.4°	120.0°
N8	C9	C10	H14	58.5°	59.9°
N8	C9	C10	H15	60.3°	60.1°
N8	C7	N5	S6	178.9°	180.0°
N8	C7	N5	C5	179.0°	176.0°
N8	C7	S6	C6	170.6°	178.6°
C7	N8	C9	H12	150.1°	125.0°
C7	N8	C9	H13	27.7°	5.0°
C7	N5	C5	C4	106.7°	128.6°
C7	N5	C5	C6	13.2°	5.2°
N5	C7	S6	C6	8.3°	1.3°
C7	N5	C1	H5	9.7°	9.3°
C7	N5	C1	H6	130.9°	111.7°
C7	N5	C5	H7	134.2°	113.8°
C5	N5	C7	S6	2.1°	3.9°
N5	C5	C4	C3	59.5°	52.8°
N5	C5	C4	C6	114.1°	124.6°
N5	C5	C4	H7	119.8°	117.6°
N5	C5	C6	H7	121.7°	119.3°
N5	C5	C4	O4	61.4°	66.9°
N5	C5	C6	S6	17.3°	3.7°
C5	N5	C1	H5	170.0°	170.5°
C5	N5	C1	H6	48.8°	68.5°
N5	C5	C4	H8	178.6°	172.7°
N5	C5	C6	H10	102.2°	122.4°
N5	C5	C6	H11	136.9°	115.1°
C7	S6	C6	C5	15.1°	1.4°
C7	S6	C6	H10	104.4°	120.1°
C7	S6	C6	H11	134.6°	117.3°
O3	C3	C4	H3	119.5°	119.7°
O3	C3	C4	C5	172.5°	178.1°
O3	C3	C4	O4	51.4°	62.2°
O3	C3	C2	H2	51.7°	62.9°
O3	C3	C4	H8	68.5°	58.2°
C3	C4	C5	O4	120.9°	119.8°
C3	C4	C5	H8	119.1°	119.9°
C3	C4	C5	C6	173.6°	177.4°
C3	C4	O4	H8	119.0°	120.3°
C4	C3	C2	H2	74.9°	57.2°
C4	C3	O3	H4	54.5°	179.5°
C3	C4	C5	H7	60.3°	64.8°
C3	C4	O4	H9	180.0°	60.1°
C4	C5	C6	H7	126.0°	118.1°
C5	C4	O4	H8	119.0°	120.3°
C4	C5	C6	S6	95.1°	126.2°
C5	C4	C3	H3	68.0°	58.3°
C5	C4	O4	H9	58.0°	179.5°
C4	C5	C6	H10	145.4°	115.0°
C4	C5	C6	H11	24.5°	7.5°
C6	C5	C4	O4	52.7°	57.7°
C5	C6	S6	H10	119.5°	118.7°
C5	C6	S6	H11	119.5°	118.7°
C6	C5	C4	H8	67.2°	62.7°
C5	C6	H10	H11	121.5°	122.5°
O4	C4	C3	H3	170.9°	178.1°
O4	C4	C5	H7	178.7°	175.5°
S6	C6	C5	H7	139.0°	115.6°
S6	C6	H10	H11	121.5°	122.6°
H1	O2	C2	H2	62.3°	60.2°
H2	C2	C3	H3	167.9°	177.2°
H2	C2	C1	H5	52.2°	52.8°
H2	C2	C1	H6	173.4°	173.7°
H3	C3	O3	H4	64.4°	59.9°
H3	C3	C4	H8	51.0°	61.5°
H7	C5	C4	H8	58.8°	55.1°
H7	C5	C6	H10	19.5°	3.1°
H7	C5	C6	H11	101.5°	125.6°
H8	C4	O4	H9	61.0°	60.2°
H12	C9	C10	H14	177.3°	NaN°
H12	C9	C10	H15	58.5°	60.0°
H13	C9	C10	H14	60.4°	60.0°
H13	C9	C10	H15	179.1°	NaN°
H14	C10	C11	H16	93.7°	180.0°
H14	C10	C11	H17	147.5°	60.0°
H15	C10	C11	H16	147.5°	60.0°
H15	C10	C11	H17	28.7°	179.9°
H16	C11	C12	H18	59.3°	180.0°
H16	C11	C12	H19	179.4°	60.0°
H16	C11	C12	H20	60.7°	59.9°
H17	C11	C12	H18	59.4°	60.0°
H17	C11	C12	H19	60.6°	180.0°
H17	C11	C12	H20	179.4°	60.0°
H18	C12	H19	H20	120.0°	120.0°

Release date:	2014-04-16
Definition date:	2013-07-26
Last modified:	2014-04-11
Release status:	REL
Processing site:	PDBJ
Derived from:	3WF0