M3X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N4	C4	sing	1.39Å	0.00Å
C4	C5	doub	1.40Å	0.00Å	Aromatic
C4	N3	sing	1.33Å	0.00Å	Aromatic
C5	C6	sing	1.38Å	0.00Å	Aromatic
N3	C2	doub	1.32Å	0.00Å	Aromatic
OP2	P	sing	1.61Å	0.00Å
C6	N1	doub	1.32Å	0.00Å	Aromatic
P	OP3	sing	1.61Å	0.00Å
P	O5'	sing	1.61Å	0.00Å
C2	N1	sing	1.33Å	0.00Å	Aromatic
C2	N2	sing	1.38Å	0.00Å
CD	CE	sing	1.53Å	0.00Å
CD	CG	sing	1.53Å	0.00Å
CE	N2	sing	1.46Å	0.00Å
N1	C1'	sing	1.46Å	0.00Å
O5'	C5'	sing	1.43Å	0.00Å
CB	CG	sing	1.53Å	0.00Å
CB	CZ	sing	1.53Å	0.00Å
OXT	C	doub	1.21Å	0.00Å
C1'	O4'	sing	1.44Å	0.00Å
C1'	C2'	sing	1.55Å	0.00Å
C	CZ	sing	1.51Å	0.00Å
C	O	sing	1.34Å	0.00Å
CZ	N	sing	1.47Å	0.00Å
C5'	C4'	sing	1.53Å	0.00Å
O4'	C4'	sing	1.44Å	0.00Å
C3'	C2'	sing	1.54Å	0.00Å
C3'	C4'	sing	1.54Å	0.00Å
C3'	O3'	sing	1.43Å	0.00Å
C2'	O2'	sing	1.43Å	0.00Å
C5	H1	sing	1.08Å	0.00Å
C6	H2	sing	1.08Å	0.00Å
N	H3	sing	1.01Å	0.00Å
N	H5	sing	1.01Å	0.00Å
O	H6	sing	0.97Å	0.00Å
CB	H7	sing	1.09Å	0.00Å
CB	H8	sing	1.09Å	0.00Å
CG	H9	sing	1.09Å	0.00Å
CG	H10	sing	1.09Å	0.00Å
CD	H11	sing	1.09Å	0.00Å
CD	H12	sing	1.09Å	0.00Å
CE	H13	sing	1.09Å	0.00Å
CE	H14	sing	1.09Å	0.00Å
CZ	H15	sing	1.09Å	0.00Å
C1'	H16	sing	1.09Å	0.00Å
C2'	H17	sing	1.09Å	0.00Å
C3'	H18	sing	1.09Å	0.00Å
C4'	H19	sing	1.09Å	0.00Å
C5'	H20	sing	1.09Å	0.00Å
C5'	H21	sing	1.09Å	0.00Å
N2	H22	sing	0.97Å	0.00Å
N4	H23	sing	0.97Å	0.00Å
N4	H24	sing	0.97Å	0.00Å
O2'	H25	sing	0.97Å	0.00Å
O3'	H26	sing	0.97Å	0.00Å
OP2	H27	sing	0.97Å	0.00Å
OP3	H28	sing	0.97Å	0.00Å
P	OP1	doub	1.48Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N4	C4	C5	90.0°	120.5°
N4	C4	N3	90.0°	120.6°
C4	N4	H23	90.0°	120.0°
C4	N4	H24	90.0°	119.9°
C5	C4	N3	90.0°	119.0°
C4	C5	C6	90.0°	118.5°
C4	C5	H1	90.0°	120.7°
C4	N3	C2	90.0°	120.6°
C5	C6	N1	90.0°	119.3°
C6	C5	H1	90.0°	120.8°
C5	C6	H2	90.0°	120.4°
N3	C2	N1	90.0°	121.7°
N3	C2	N2	90.0°	119.1°
OP2	P	OP3	90.0°	109.5°
OP2	P	O5'	90.0°	109.5°
P	OP2	H27	90.0°	114.0°
OP2	P	OP1	90.0°	109.5°
C6	N1	C2	90.0°	120.9°
C6	N1	C1'	90.0°	119.6°
N1	C6	H2	90.0°	120.3°
OP3	P	O5'	90.0°	109.4°
P	OP3	H28	90.0°	114.0°
OP3	P	OP1	90.0°	109.5°
P	O5'	C5'	90.0°	123.0°
O5'	P	OP1	90.0°	109.5°
N1	C2	N2	90.0°	119.2°
C2	N1	C1'	90.0°	119.5°
C2	N2	CE	90.0°	120.1°
C2	N2	H22	90.0°	120.0°
CE	CD	CG	90.0°	109.5°
CD	CE	N2	90.0°	109.5°
CE	CD	H11	90.0°	109.5°
CE	CD	H12	90.0°	109.5°
CD	CE	H13	90.0°	109.5°
CD	CE	H14	90.0°	109.5°
CD	CG	CB	90.0°	109.5°
CD	CG	H9	90.0°	109.5°
CD	CG	H10	90.0°	109.5°
CG	CD	H11	90.0°	109.4°
CG	CD	H12	90.0°	109.4°
N2	CE	H13	90.0°	109.5°
N2	CE	H14	90.0°	109.5°
CE	N2	H22	90.0°	120.0°
N1	C1'	O4'	90.0°	110.4°
N1	C1'	C2'	90.0°	110.4°
N1	C1'	H16	90.0°	110.4°
O5'	C5'	C4'	90.0°	109.5°
O5'	C5'	H20	90.0°	109.5°
O5'	C5'	H21	90.0°	109.5°
CG	CB	CZ	90.0°	109.5°
CG	CB	H7	90.0°	109.5°
CG	CB	H8	90.0°	109.5°
CB	CG	H9	90.0°	109.5°
CB	CG	H10	90.0°	109.5°
CB	CZ	C	90.0°	109.5°
CB	CZ	N	90.0°	109.5°
CZ	CB	H7	90.0°	109.4°
CZ	CB	H8	90.0°	109.4°
CB	CZ	H15	90.0°	109.4°
OXT	C	CZ	90.0°	120.0°
OXT	C	O	90.0°	120.0°
O4'	C1'	C2'	90.0°	104.8°
C1'	O4'	C4'	90.0°	105.3°
O4'	C1'	H16	90.0°	110.4°
C1'	C2'	C3'	90.0°	104.1°
C1'	C2'	O2'	90.0°	110.5°
C2'	C1'	H16	90.0°	110.4°
C1'	C2'	H17	90.0°	110.5°
CZ	C	O	90.0°	120.0°
C	CZ	N	90.0°	109.5°
C	CZ	H15	90.0°	109.5°
C	O	H6	90.0°	117.0°
CZ	N	H3	90.0°	111.0°
CZ	N	H5	90.0°	111.0°
N	CZ	H15	90.0°	109.5°
C5'	C4'	O4'	90.0°	110.4°
C5'	C4'	C3'	90.0°	110.4°
C5'	C4'	H19	90.0°	110.3°
C4'	C5'	H20	90.0°	109.5°
C4'	C5'	H21	90.0°	109.5°
O4'	C4'	C3'	90.0°	104.8°
O4'	C4'	H19	90.0°	110.4°
C2'	C3'	C4'	90.0°	104.1°
C2'	C3'	O3'	90.0°	110.5°
C3'	C2'	O2'	90.0°	110.5°
C3'	C2'	H17	90.0°	110.6°
C2'	C3'	H18	90.0°	110.5°
C4'	C3'	O3'	90.0°	110.5°
C4'	C3'	H18	90.0°	110.5°
C3'	C4'	H19	90.0°	110.4°
O3'	C3'	H18	90.0°	110.6°
C3'	O3'	H26	90.0°	114.0°
O2'	C2'	H17	90.0°	110.5°
C2'	O2'	H25	90.0°	114.0°
H3	N	H5	90.0°	111.0°
H7	CB	H8	90.0°	109.5°
H9	CG	H10	90.0°	109.4°
H11	CD	H12	90.0°	109.5°
H13	CE	H14	90.0°	109.4°
H20	C5'	H21	90.0°	109.5°
H23	N4	H24	90.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N4	C4	C5	N3	90.0°	179.8°
N4	C4	C5	C6	90.0°	180.0°
N4	C4	N3	C2	90.0°	179.9°
N4	C4	C5	H1	90.0°	0.2°
C4	N4	H23	H24	90.0°	179.9°
C4	C5	C6	H1	90.0°	179.7°
C5	C4	N3	C2	90.0°	0.2°
C4	C5	C6	N1	90.0°	0.0°
C4	C5	C6	H2	90.0°	179.9°
C5	C4	N4	H23	90.0°	0.1°
C5	C4	N4	H24	90.0°	180.0°
N3	C4	C5	C6	90.0°	0.2°
C4	N3	C2	N1	90.0°	0.0°
C4	N3	C2	N2	90.0°	180.0°
N3	C4	C5	H1	90.0°	179.9°
N3	C4	N4	H23	90.0°	179.7°
N3	C4	N4	H24	90.0°	0.1°
C5	C6	N1	H2	90.0°	179.9°
C5	C6	N1	C2	90.0°	0.3°
C5	C6	N1	C1'	90.0°	180.0°
N3	C2	N1	C6	90.0°	0.2°
N3	C2	N1	N2	90.0°	180.0°
N3	C2	N2	CE	90.0°	0.0°
N3	C2	N1	C1'	90.0°	179.9°
N3	C2	N2	H22	90.0°	180.0°
OP2	P	OP3	O5'	90.0°	120.0°
OP2	P	OP3	OP1	90.0°	120.0°
OP2	P	O5'	OP1	90.0°	120.0°
OP2	P	O5'	C5'	90.0°	175.0°
OP2	P	OP3	H28	90.0°	60.0°
C6	N1	C2	C1'	90.0°	179.7°
C6	N1	C2	N2	90.0°	179.7°
C6	N1	C1'	O4'	90.0°	23.2°
C6	N1	C1'	C2'	90.0°	92.1°
N1	C6	C5	H1	90.0°	179.7°
C6	N1	C1'	H16	90.0°	145.5°
OP3	P	O5'	OP1	90.0°	120.0°
OP3	P	O5'	C5'	90.0°	65.0°
OP3	P	OP2	H27	90.0°	60.0°
P	O5'	C5'	C4'	90.0°	180.0°
P	O5'	C5'	H20	90.0°	60.0°
P	O5'	C5'	H21	90.0°	60.0°
O5'	P	OP2	H27	90.0°	180.0°
O5'	P	OP3	H28	90.0°	60.0°
N1	C2	N2	CE	90.0°	180.0°
C2	N1	C1'	O4'	90.0°	156.5°
C2	N1	C1'	C2'	90.0°	88.2°
C2	N1	C6	H2	90.0°	179.7°
C2	N1	C1'	H16	90.0°	34.2°
N1	C2	N2	H22	90.0°	0.0°
C2	N2	CE	CD	90.0°	180.0°
C2	N2	CE	H22	90.0°	180.0°
N2	C2	N1	C1'	90.0°	0.0°
C2	N2	CE	H13	90.0°	60.0°
C2	N2	CE	H14	90.0°	60.0°
CE	CD	CG	H11	90.0°	120.0°
CE	CD	CG	H12	90.0°	120.0°
CD	CE	N2	H13	90.0°	120.0°
CD	CE	N2	H14	90.0°	120.0°
CE	CD	CG	CB	90.0°	180.0°
CE	CD	CG	H9	90.0°	60.0°
CE	CD	CG	H10	90.0°	60.0°
CE	CD	H11	H12	90.0°	120.1°
CD	CE	H13	H14	90.0°	120.0°
CD	CE	N2	H22	90.0°	0.0°
CG	CD	CE	N2	90.0°	180.0°
CD	CG	CB	H9	90.0°	120.0°
CD	CG	CB	H10	90.0°	120.0°
CD	CG	CB	CZ	90.0°	NaN°
CD	CG	CB	H7	90.0°	60.0°
CD	CG	CB	H8	90.0°	60.0°
CD	CG	H9	H10	90.0°	120.0°
CG	CD	H11	H12	90.0°	120.0°
CG	CD	CE	H13	90.0°	60.0°
CG	CD	CE	H14	90.0°	60.0°
N2	CE	CD	H11	90.0°	60.0°
N2	CE	CD	H12	90.0°	60.0°
N2	CE	H13	H14	90.0°	120.0°
N1	C1'	O4'	C2'	90.0°	118.8°
N1	C1'	O4'	H16	90.0°	122.3°
N1	C1'	C2'	H16	90.0°	122.3°
N1	C1'	O4'	C4'	90.0°	159.3°
N1	C1'	C2'	C3'	90.0°	142.8°
N1	C1'	C2'	O2'	90.0°	98.5°
C1'	N1	C6	H2	90.0°	0.0°
N1	C1'	C2'	H17	90.0°	24.0°
O5'	C5'	C4'	H20	90.0°	120.0°
O5'	C5'	C4'	H21	90.0°	120.0°
O5'	C5'	C4'	O4'	90.0°	69.6°
O5'	C5'	C4'	C3'	90.0°	175.0°
O5'	C5'	C4'	H19	90.0°	52.7°
O5'	C5'	H20	H21	90.0°	120.0°
C5'	O5'	P	OP1	90.0°	55.0°
CG	CB	CZ	H7	90.0°	120.0°
CG	CB	CZ	H8	90.0°	120.0°
CG	CB	CZ	C	90.0°	175.0°
CG	CB	CZ	N	90.0°	65.0°
CG	CB	H7	H8	90.0°	120.1°
CB	CG	H9	H10	90.0°	120.0°
CB	CG	CD	H11	90.0°	60.0°
CB	CG	CD	H12	90.0°	60.0°
CG	CB	CZ	H15	90.0°	55.0°
CB	CZ	C	OXT	90.0°	100.0°
CB	CZ	C	N	90.0°	120.0°
CB	CZ	C	H15	90.0°	120.0°
CB	CZ	C	O	90.0°	80.0°
CB	CZ	N	H15	90.0°	119.9°
CB	CZ	N	H3	90.0°	176.1°
CB	CZ	N	H5	90.0°	60.0°
CZ	CB	H7	H8	90.0°	119.9°
CZ	CB	CG	H9	90.0°	60.0°
CZ	CB	CG	H10	90.0°	60.0°
OXT	C	CZ	O	90.0°	180.0°
OXT	C	CZ	N	90.0°	20.0°
OXT	C	O	H6	90.0°	0.1°
OXT	C	CZ	H15	90.0°	140.0°
O4'	C1'	C2'	H16	90.0°	118.8°
C1'	O4'	C4'	C5'	90.0°	159.4°
O4'	C1'	C2'	C3'	90.0°	24.0°
C1'	O4'	C4'	C3'	90.0°	40.5°
O4'	C1'	C2'	O2'	90.0°	142.6°
O4'	C1'	C2'	H17	90.0°	94.8°
C1'	O4'	C4'	H19	90.0°	78.3°
C2'	C1'	O4'	C4'	90.0°	40.5°
C1'	C2'	C3'	O2'	90.0°	118.7°
C1'	C2'	C3'	H17	90.0°	118.7°
C1'	C2'	C3'	C4'	90.0°	0.0°
C1'	C2'	C3'	O3'	90.0°	118.7°
C1'	C2'	O2'	H17	90.0°	122.6°
C1'	C2'	C3'	H18	90.0°	118.6°
C1'	C2'	O2'	H25	90.0°	180.0°
C	CZ	N	H15	90.0°	120.0°
C	CZ	N	H3	90.0°	63.9°
C	CZ	N	H5	90.0°	60.0°
CZ	C	O	H6	90.0°	180.0°
C	CZ	CB	H7	90.0°	55.0°
C	CZ	CB	H8	90.0°	65.0°
O	C	CZ	N	90.0°	160.0°
O	C	CZ	H15	90.0°	40.0°
CZ	N	H3	H5	90.0°	123.9°
N	CZ	CB	H7	90.0°	175.0°
N	CZ	CB	H8	90.0°	55.0°
C5'	C4'	O4'	C3'	90.0°	118.9°
C5'	C4'	O4'	H19	90.0°	122.3°
C5'	C4'	C3'	C2'	90.0°	142.9°
C5'	C4'	C3'	H19	90.0°	122.2°
C5'	C4'	C3'	O3'	90.0°	98.4°
C5'	C4'	C3'	H18	90.0°	24.3°
C4'	C5'	H20	H21	90.0°	120.0°
O4'	C4'	C3'	C2'	90.0°	24.0°
O4'	C4'	C3'	H19	90.0°	118.8°
O4'	C4'	C3'	O3'	90.0°	142.7°
C4'	O4'	C1'	H16	90.0°	78.4°
O4'	C4'	C3'	H18	90.0°	94.6°
O4'	C4'	C5'	H20	90.0°	170.4°
O4'	C4'	C5'	H21	90.0°	50.4°
C2'	C3'	C4'	O3'	90.0°	118.7°
C2'	C3'	C4'	H18	90.0°	118.6°
C2'	C3'	O3'	H18	90.0°	122.6°
C3'	C2'	O2'	H17	90.0°	122.8°
C3'	C2'	C1'	H16	90.0°	94.9°
C2'	C3'	C4'	H19	90.0°	94.8°
C3'	C2'	O2'	H25	90.0°	65.4°
C2'	C3'	O3'	H26	90.0°	61.4°
C4'	C3'	O3'	H18	90.0°	122.7°
C4'	C3'	C2'	O2'	90.0°	118.7°
C4'	C3'	C2'	H17	90.0°	118.7°
C3'	C4'	C5'	H20	90.0°	55.0°
C3'	C4'	C5'	H21	90.0°	65.1°
C4'	C3'	O3'	H26	90.0°	176.1°
O3'	C3'	C2'	O2'	90.0°	0.0°
O3'	C3'	C2'	H17	90.0°	122.6°
O3'	C3'	C4'	H19	90.0°	23.8°
O2'	C2'	C1'	H16	90.0°	23.8°
O2'	C2'	C3'	H18	90.0°	122.7°
H1	C5	C6	H2	90.0°	0.4°
H3	N	CZ	H15	90.0°	56.1°
H5	N	CZ	H15	90.0°	179.9°
H7	CB	CG	H9	90.0°	60.0°
H7	CB	CG	H10	90.0°	180.0°
H7	CB	CZ	H15	90.0°	65.0°
H8	CB	CG	H9	90.0°	180.0°
H8	CB	CG	H10	90.0°	60.0°
H8	CB	CZ	H15	90.0°	175.0°
H9	CG	CD	H11	90.0°	180.0°
H9	CG	CD	H12	90.0°	60.0°
H10	CG	CD	H11	90.0°	60.0°
H10	CG	CD	H12	90.0°	180.0°
H11	CD	CE	H13	90.0°	180.0°
H11	CD	CE	H14	90.0°	60.0°
H12	CD	CE	H13	90.0°	60.0°
H12	CD	CE	H14	90.0°	180.0°
H13	CE	N2	H22	90.0°	120.0°
H14	CE	N2	H22	90.0°	120.0°
H16	C1'	C2'	H17	90.0°	146.4°
H17	C2'	C3'	H18	90.0°	0.1°
H17	C2'	O2'	H25	90.0°	57.4°
H18	C3'	C4'	H19	90.0°	146.6°
H18	C3'	O3'	H26	90.0°	61.2°
H19	C4'	C5'	H20	90.0°	67.3°
H19	C4'	C5'	H21	90.0°	172.7°
H27	OP2	P	OP1	90.0°	60.0°
H28	OP3	P	OP1	90.0°	180.0°

Release date:	2024-03-06
Definition date:	2022-12-22
Last modified:	2024-03-01
Release status:	REL
Processing site:	PDBJ