G3M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N11	C3	sing	1.47Å	1.49Å
C3	C4	sing	1.53Å	1.54Å
C3	C2	sing	1.51Å	1.51Å
C4	O12	sing	1.43Å	1.44Å
C4	C5	sing	1.53Å	1.53Å
O1	C2	doub	1.21Å	1.25Å
C2	O10	sing	1.34Å	1.25Å
C6	C5	sing	1.53Å	1.52Å
C6	C7	sing	1.53Å	1.52Å
C7	N8	sing	1.46Å	1.45Å
N8	C9	sing	1.38Å	1.33Å
C9	N13	doub	1.30Å	1.42Å
C9	N14	sing	1.37Å	1.26Å
C3	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C7	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
N8	H9	sing	0.97Å	1.00Å
O10	H10	sing	0.97Å	0.95Å
N11	H11	sing	1.01Å	1.00Å
N11	H12	sing	1.01Å	1.00Å
O12	H14	sing	0.97Å	0.95Å
N13	H15	sing	0.97Å	1.00Å
N14	H16	sing	0.97Å	1.00Å
N14	H17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N11	C3	C4	109.6°	109.5°
N11	C3	C2	110.5°	109.5°
N11	C3	H1	108.2°	109.5°
C3	N11	H11	109.5°	110.9°
C3	N11	H12	109.5°	111.0°
C4	C3	C2	112.9°	109.5°
C3	C4	O12	111.2°	109.5°
C3	C4	C5	112.8°	109.5°
C4	C3	H1	107.6°	109.4°
C3	C4	H2	107.6°	109.4°
C3	C2	O1	119.0°	120.0°
C3	C2	O10	118.9°	120.0°
C2	C3	H1	107.9°	109.4°
O12	C4	C5	108.6°	109.5°
O12	C4	H2	108.9°	109.5°
C4	O12	H14	109.5°	114.0°
C4	C5	C6	110.8°	109.5°
C5	C4	H2	107.7°	109.5°
C4	C5	H7	109.1°	109.5°
C4	C5	H8	109.1°	109.5°
O1	C2	O10	122.1°	120.0°
C2	O10	H10	109.5°	117.0°
C5	C6	C7	110.3°	109.5°
C5	C6	H5	109.3°	109.4°
C5	C6	H6	109.3°	109.5°
C6	C5	H7	109.2°	109.4°
C6	C5	H8	109.2°	109.4°
C6	C7	N8	113.6°	109.5°
C6	C7	H3	108.4°	109.4°
C6	C7	H4	108.4°	109.4°
C7	C6	H5	109.3°	109.5°
C7	C6	H6	109.3°	109.5°
C7	N8	C9	121.5°	120.0°
N8	C7	H3	108.5°	109.5°
N8	C7	H4	108.5°	109.5°
C7	N8	H9	119.3°	120.0°
N8	C9	N13	119.2°	120.0°
N8	C9	N14	120.8°	120.0°
C9	N8	H9	119.3°	120.0°
N13	C9	N14	119.9°	120.0°
C9	N13	H15	112.0°	120.0°
C9	N14	H16	120.0°	119.9°
C9	N14	H17	120.0°	120.1°
H3	C7	H4	109.4°	109.5°
H5	C6	H6	109.5°	109.4°
H7	C5	H8	109.5°	109.5°
H11	N11	H12	109.5°	111.0°
H16	N14	H17	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N11	C3	C4	C2	123.6°	120.1°
N11	C3	C4	H1	117.4°	120.0°
N11	C3	C2	H1	118.2°	120.0°
N11	C3	C4	O12	70.6°	180.0°
N11	C3	C4	C5	167.2°	59.9°
N11	C3	C2	O1	27.3°	20.0°
N11	C3	C2	O10	151.4°	160.0°
N11	C3	C4	H2	48.5°	60.0°
C3	N11	H11	H12	120.0°	124.0°
C4	C3	C2	H1	118.7°	120.0°
C3	C4	O12	C5	124.7°	120.0°
C3	C4	O12	H2	118.3°	120.0°
C3	C4	C5	H2	118.6°	119.9°
C4	C3	C2	O1	95.8°	100.0°
C4	C3	C2	O10	85.5°	79.9°
C3	C4	C5	C6	84.5°	175.0°
C3	C4	C5	H7	155.3°	65.1°
C3	C4	C5	H8	35.7°	55.0°
C4	C3	N11	H11	180.0°	60.1°
C4	C3	N11	H12	60.0°	63.9°
C3	C4	O12	H14	180.0°	60.0°
C2	C3	C4	O12	53.0°	59.9°
C2	C3	C4	C5	69.2°	180.0°
C3	C2	O1	O10	178.7°	180.0°
C2	C3	C4	H2	172.1°	60.0°
C3	C2	O10	H10	178.7°	180.0°
C2	C3	N11	H11	55.0°	60.0°
C2	C3	N11	H12	65.0°	176.1°
O12	C4	C5	H2	117.7°	120.0°
O12	C4	C5	C6	151.8°	65.0°
O12	C4	C3	H1	172.0°	60.0°
O12	C4	C5	H7	31.6°	55.0°
O12	C4	C5	H8	88.0°	175.0°
C4	C5	C6	H7	120.2°	120.0°
C4	C5	C6	H8	120.2°	120.0°
C4	C5	C6	C7	171.4°	180.0°
C5	C4	C3	H1	49.7°	60.0°
C4	C5	C6	H5	51.3°	60.0°
C4	C5	C6	H6	68.5°	60.0°
C4	C5	H7	H8	119.4°	120.1°
C5	C4	O12	H14	55.4°	60.0°
O1	C2	C3	H1	145.4°	140.0°
O1	C2	O10	H10	0.0°	0.0°
O10	C2	C3	H1	33.3°	40.0°
C5	C6	C7	H5	120.1°	120.0°
C5	C6	C7	H6	120.1°	120.0°
C5	C6	C7	N8	115.8°	180.0°
C6	C5	C4	H2	34.1°	55.0°
C5	C6	C7	H3	4.8°	60.0°
C5	C6	C7	H4	123.5°	60.0°
C5	C6	H5	H6	119.6°	120.0°
C6	C5	H7	H8	119.4°	120.0°
C6	C7	N8	H3	120.6°	120.0°
C6	C7	N8	H4	120.6°	120.0°
C6	C7	N8	C9	155.9°	180.0°
C6	C7	H3	H4	118.1°	119.9°
C7	C6	H5	H6	119.6°	120.0°
C7	C6	C5	H7	68.4°	60.0°
C7	C6	C5	H8	51.2°	60.0°
C6	C7	N8	H9	24.0°	0.0°
C7	N8	C9	H9	180.0°	180.0°
C7	N8	C9	N13	178.1°	0.0°
C7	N8	C9	N14	1.4°	179.7°
N8	C7	H3	H4	118.2°	120.1°
N8	C7	C6	H5	124.0°	60.0°
N8	C7	C6	H6	4.3°	60.0°
N8	C9	N13	N14	179.5°	179.7°
C9	N8	C7	H3	35.3°	60.0°
C9	N8	C7	H4	83.4°	60.0°
N8	C9	N13	H15	179.5°	179.7°
N8	C9	N14	H16	179.6°	179.8°
N8	C9	N14	H17	0.5°	0.3°
N13	C9	N8	H9	1.8°	180.0°
N13	C9	N14	H16	0.0°	0.0°
N13	C9	N14	H17	180.0°	180.0°
N14	C9	N8	H9	178.6°	0.3°
N14	C9	N13	H15	0.0°	0.0°
C9	N14	H16	H17	180.0°	179.9°
H1	C3	C4	H2	68.9°	180.0°
H1	C3	N11	H11	63.0°	179.9°
H1	C3	N11	H12	177.0°	56.1°
H2	C4	C5	H7	86.2°	175.0°
H2	C4	C5	H8	154.3°	65.0°
H2	C4	O12	H14	61.7°	180.0°
H3	C7	C6	H5	115.3°	60.0°
H3	C7	C6	H6	124.9°	180.0°
H3	C7	N8	H9	144.6°	119.9°
H4	C7	C6	H5	3.4°	180.0°
H4	C7	C6	H6	116.3°	60.1°
H4	C7	N8	H9	96.6°	120.0°
H5	C6	C5	H7	171.4°	60.0°
H5	C6	C5	H8	68.9°	180.0°
H6	C6	C5	H7	51.7°	180.0°
H6	C6	C5	H8	171.3°	60.1°

Release date:	2018-05-16
Definition date:	2018-05-03
Last modified:	2018-05-11
Release status:	REL
Processing site:	RCSB
Derived from:	6DAZ