SMT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P	OP1	doub	1.48Å	1.51Å
P	OP2	sing	1.61Å	1.49Å
P	OP3	sing	1.61Å	12.75Å
P	O5'	sing	1.61Å	1.59Å
OP2	H2P	sing	0.97Å	0.95Å
OP3	H3P	sing	0.97Å	0.00Å
O5'	C5'	sing	1.43Å	1.41Å
C5'	C4'	sing	1.53Å	1.50Å
C5'	H5'	sing	1.09Å	1.10Å
C5'	H5'2	sing	1.09Å	1.10Å
C4'	O4'	sing	1.44Å	1.46Å
C4'	C3'	sing	1.54Å	1.49Å
C4'	H4'	sing	1.09Å	1.10Å
O4'	C1'	sing	1.44Å	1.47Å
C3'	O3'	sing	1.43Å	1.44Å
C3'	C2'	sing	1.55Å	1.51Å
C3'	H3'	sing	1.09Å	1.10Å
O3'	HO3	sing	0.97Å	0.95Å
C2'	O2'	sing	1.43Å	1.38Å
C2'	C1'	sing	1.55Å	1.49Å
C2'	H2'	sing	1.09Å	1.10Å
O2'	CA'	sing	1.43Å	1.56Å
C1'	N1	sing	1.47Å	1.47Å
C1'	H1'	sing	1.09Å	1.10Å
N1	C2	sing	1.34Å	1.39Å
N1	C6	sing	1.37Å	1.33Å
C2	O2	doub	1.22Å	1.24Å
C2	N3	sing	1.35Å	1.33Å
N3	C4	sing	1.35Å	1.41Å
N3	H3	sing	0.97Å	1.00Å
C4	O4	doub	1.22Å	1.26Å
C4	C5	sing	1.42Å	1.46Å
C5	C5A	sing	1.51Å	1.46Å
C5	C6	doub	1.35Å	1.36Å
C5A	H5A	sing	1.09Å	1.10Å
C5A	H5A1	sing	1.09Å	1.10Å
C5A	H5A2	sing	1.09Å	1.10Å
C6	H6	sing	1.08Å	1.08Å
CA'	CB	sing	1.53Å	13.00Å
CA'	HA1	sing	1.09Å	1.10Å
CA'	HA2	sing	1.09Å	1.10Å
CB	SC	sing	1.81Å	0.00Å
CB	HB1	sing	1.09Å	0.00Å
CB	HB2	sing	1.09Å	0.00Å
SC	CD	sing	1.81Å	0.00Å
CD	HD1	sing	1.09Å	0.00Å
CD	HD2	sing	1.09Å	0.00Å
CD	HD3	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OP1	P	OP2	119.6°	109.5°
OP1	P	OP3	126.2°	109.5°
OP1	P	O5'	110.6°	109.5°
OP2	P	OP3	106.4°	109.5°
OP2	P	O5'	106.8°	109.4°
P	OP2	H2P	109.5°	114.0°
OP3	P	O5'	78.2°	109.5°
P	OP3	H3P	90.0°	114.0°
P	O5'	C5'	119.4°	123.0°
O5'	C5'	C4'	108.9°	109.5°
O5'	C5'	H5'	109.6°	109.5°
O5'	C5'	H5'2	109.6°	109.5°
C4'	C5'	H5'	109.6°	109.4°
C4'	C5'	H5'2	109.6°	109.5°
C5'	C4'	O4'	108.5°	109.9°
C5'	C4'	C3'	117.8°	109.9°
C5'	C4'	H4'	109.3°	109.9°
H5'	C5'	H5'2	109.4°	109.5°
O4'	C4'	C3'	101.8°	107.3°
O4'	C4'	H4'	109.7°	109.9°
C4'	O4'	C1'	107.4°	107.0°
C3'	C4'	H4'	109.4°	110.0°
C4'	C3'	O3'	111.0°	110.5°
C4'	C3'	C2'	101.2°	104.2°
C4'	C3'	H3'	110.0°	110.5°
O4'	C1'	C2'	106.0°	103.5°
O4'	C1'	N1	106.0°	110.6°
O4'	C1'	H1'	109.4°	110.5°
O3'	C3'	C2'	113.9°	110.5°
O3'	C3'	H3'	110.7°	110.5°
C3'	O3'	HO3	109.5°	114.0°
C2'	C3'	H3'	109.7°	110.6°
C3'	C2'	O2'	107.5°	110.9°
C3'	C2'	C1'	99.8°	102.1°
C3'	C2'	H2'	109.7°	110.9°
O2'	C2'	C1'	117.3°	110.9°
O2'	C2'	H2'	111.6°	110.8°
C2'	O2'	CA'	112.2°	114.0°
C1'	C2'	H2'	110.0°	110.9°
C2'	C1'	N1	116.6°	110.7°
C2'	C1'	H1'	109.1°	110.6°
O2'	CA'	CB	90.8°	109.4°
O2'	CA'	HA1	113.9°	109.5°
O2'	CA'	HA2	113.9°	109.5°
N1	C1'	H1'	109.4°	110.7°
C1'	N1	C2	115.9°	119.7°
C1'	N1	C6	124.9°	119.7°
C2	N1	C6	119.2°	120.7°
N1	C2	O2	120.2°	119.6°
N1	C2	N3	115.6°	120.9°
N1	C6	C5	128.6°	119.7°
N1	C6	H6	115.7°	120.2°
O2	C2	N3	124.3°	119.5°
C2	N3	C4	127.2°	120.3°
C2	N3	H3	116.4°	119.8°
C4	N3	H3	116.4°	119.9°
N3	C4	O4	118.1°	120.3°
N3	C4	C5	115.5°	119.4°
O4	C4	C5	126.2°	120.3°
C4	C5	C5A	121.7°	120.4°
C4	C5	C6	113.7°	119.1°
C5A	C5	C6	124.4°	120.5°
C5	C5A	H5A	109.5°	109.5°
C5	C5A	H5A1	109.4°	109.5°
C5	C5A	H5A2	109.5°	109.4°
C5	C6	H6	115.7°	120.1°
H5A	C5A	H5A1	109.5°	109.5°
H5A	C5A	H5A2	109.5°	109.4°
H5A1	C5A	H5A2	109.5°	109.4°
CB	CA'	HA1	113.9°	109.5°
CB	CA'	HA2	113.9°	109.5°
CA'	CB	SC	90.0°	109.5°
CA'	CB	HB1	90.0°	109.5°
CA'	CB	HB2	90.0°	109.5°
HA1	CA'	HA2	109.5°	109.5°
SC	CB	HB1	90.0°	109.5°
SC	CB	HB2	90.0°	109.5°
CB	SC	CD	90.0°	103.0°
HB1	CB	HB2	90.0°	109.4°
SC	CD	HD1	90.0°	109.5°
SC	CD	HD2	90.0°	109.5°
SC	CD	HD3	90.0°	109.5°
HD1	CD	HD2	90.0°	109.4°
HD1	CD	HD3	90.0°	109.5°
HD2	CD	HD3	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OP1	P	OP2	OP3	151.2°	120.0°
OP1	P	OP2	O5'	126.5°	120.0°
OP1	P	OP3	O5'	107.0°	120.0°
OP1	P	OP2	H2P	0.0°	180.0°
OP1	P	OP3	H3P	90.0°	60.0°
OP1	P	O5'	C5'	45.7°	55.0°
OP2	P	OP3	O5'	104.3°	120.0°
OP2	P	OP3	H3P	90.0°	60.0°
OP2	P	O5'	C5'	177.4°	65.0°
OP3	P	OP2	H2P	151.2°	60.0°
OP3	P	O5'	C5'	78.8°	175.0°
O5'	P	OP2	H2P	126.5°	60.0°
O5'	P	OP3	H3P	90.0°	180.0°
P	O5'	C5'	C4'	172.6°	180.0°
P	O5'	C5'	H5'	67.4°	60.0°
P	O5'	C5'	H5'2	52.7°	60.0°
O5'	C5'	C4'	H5'	119.9°	120.0°
O5'	C5'	C4'	H5'2	120.0°	120.0°
O5'	C5'	H5'	H5'2	120.2°	120.0°
O5'	C5'	C4'	O4'	64.7°	66.4°
O5'	C5'	C4'	C3'	50.1°	175.8°
O5'	C5'	C4'	H4'	175.7°	54.6°
C4'	C5'	H5'	H5'2	120.2°	120.0°
C5'	C4'	O4'	C3'	124.9°	119.4°
C5'	C4'	O4'	H4'	119.3°	121.0°
C5'	C4'	C3'	H4'	125.5°	121.1°
C5'	C4'	O4'	C1'	149.7°	145.9°
C5'	C4'	C3'	O3'	75.7°	119.9°
C5'	C4'	C3'	C2'	163.1°	121.5°
C5'	C4'	C3'	H3'	47.1°	2.7°
H5'	C5'	C4'	O4'	175.4°	53.5°
H5'	C5'	C4'	C3'	69.8°	64.3°
H5'	C5'	C4'	H4'	55.8°	174.6°
H5'2	C5'	C4'	O4'	55.3°	173.5°
H5'2	C5'	C4'	C3'	170.1°	55.7°
H5'2	C5'	C4'	H4'	64.3°	65.4°
O4'	C4'	C3'	H4'	116.1°	119.5°
O4'	C4'	C3'	O3'	165.9°	120.7°
O4'	C4'	C3'	C2'	44.7°	2.0°
O4'	C4'	C3'	H3'	71.3°	116.8°
C4'	O4'	C1'	C2'	4.8°	40.0°
C4'	O4'	C1'	N1	119.8°	158.6°
C4'	O4'	C1'	H1'	122.3°	78.4°
C3'	C4'	O4'	C1'	24.9°	26.5°
C4'	C3'	O3'	C2'	113.4°	114.7°
C4'	C3'	O3'	H3'	122.4°	122.5°
C4'	C3'	C2'	H3'	116.2°	118.7°
C4'	C3'	O3'	HO3	180.0°	61.5°
C4'	C3'	C2'	O2'	75.8°	139.1°
C4'	C3'	C2'	C1'	47.1°	20.9°
C4'	C3'	C2'	H2'	162.7°	97.4°
H4'	C4'	O4'	C1'	90.9°	93.1°
H4'	C4'	C3'	O3'	49.8°	1.2°
H4'	C4'	C3'	C2'	71.4°	117.5°
H4'	C4'	C3'	H3'	172.7°	123.7°
O4'	C1'	C2'	C3'	31.9°	37.0°
O4'	C1'	C2'	O2'	83.8°	155.2°
O4'	C1'	C2'	N1	117.7°	118.5°
O4'	C1'	C2'	H1'	117.7°	118.4°
O4'	C1'	C2'	H2'	147.3°	81.2°
O4'	C1'	N1	H1'	117.9°	122.9°
O4'	C1'	N1	C2	157.2°	53.6°
O4'	C1'	N1	C6	26.3°	126.7°
O3'	C3'	C2'	H3'	124.7°	122.7°
O3'	C3'	C2'	O2'	43.4°	20.4°
O3'	C3'	C2'	C1'	166.3°	97.8°
O3'	C3'	C2'	H2'	78.2°	144.0°
C2'	C3'	O3'	HO3	66.6°	176.2°
C3'	C2'	O2'	C1'	111.4°	112.8°
C3'	C2'	O2'	H2'	120.4°	123.6°
C3'	C2'	C1'	H2'	115.3°	118.2°
C3'	C2'	O2'	CA'	177.5°	91.4°
C3'	C2'	C1'	N1	85.8°	155.5°
C3'	C2'	C1'	H1'	149.7°	81.4°
H3'	C3'	O3'	HO3	57.6°	61.1°
H3'	C3'	C2'	O2'	168.1°	102.2°
H3'	C3'	C2'	C1'	69.0°	139.6°
H3'	C3'	C2'	H2'	46.5°	21.3°
O2'	C2'	C1'	H2'	129.0°	123.5°
O2'	C2'	C1'	N1	158.5°	86.3°
O2'	C2'	C1'	H1'	34.0°	36.8°
C2'	O2'	CA'	CB	72.3°	180.0°
C2'	O2'	CA'	HA1	44.5°	60.1°
C2'	O2'	CA'	HA2	171.0°	60.0°
C1'	C2'	O2'	CA'	71.1°	155.8°
C2'	C1'	N1	H1'	124.4°	123.0°
C2'	C1'	N1	C2	85.1°	60.5°
C2'	C1'	N1	C6	91.4°	119.2°
H2'	C2'	O2'	CA'	57.1°	32.2°
H2'	C2'	C1'	N1	29.5°	37.3°
H2'	C2'	C1'	H1'	95.0°	160.3°
O2'	CA'	CB	HA1	116.7°	120.0°
O2'	CA'	CB	HA2	116.7°	120.0°
O2'	CA'	HA1	HA2	128.8°	120.0°
O2'	CA'	CB	SC	90.0°	180.0°
O2'	CA'	CB	HB1	90.0°	59.9°
O2'	CA'	CB	HB2	90.0°	60.0°
C1'	N1	C2	C6	176.7°	179.7°
C1'	N1	C2	O2	1.5°	0.0°
C1'	N1	C2	N3	179.7°	180.0°
C1'	N1	C6	C5	178.9°	179.7°
C1'	N1	C6	H6	1.1°	0.0°
H1'	C1'	N1	C2	39.3°	176.5°
H1'	C1'	N1	C6	144.2°	3.8°
N1	C2	O2	N3	178.7°	180.0°
N1	C2	N3	C4	4.9°	0.0°
N1	C2	N3	H3	175.1°	180.0°
C2	N1	C6	C5	2.5°	0.6°
C2	N1	C6	H6	177.5°	179.7°
C6	N1	C2	O2	178.1°	179.7°
C6	N1	C2	N3	3.0°	0.3°
N1	C6	C5	C4	3.1°	0.6°
N1	C6	C5	C5A	177.6°	179.8°
N1	C6	C5	H6	180.0°	179.8°
O2	C2	N3	C4	176.3°	180.0°
O2	C2	N3	H3	3.7°	0.0°
C2	N3	C4	H3	180.0°	180.0°
C2	N3	C4	O4	179.7°	180.0°
C2	N3	C4	C5	5.6°	0.0°
N3	C4	O4	C5	174.1°	180.0°
N3	C4	C5	C5A	178.8°	180.0°
N3	C4	C5	C6	4.1°	0.3°
H3	N3	C4	O4	0.3°	0.1°
H3	N3	C4	C5	174.4°	180.0°
O4	C4	C5	C5A	7.0°	0.0°
O4	C4	C5	C6	178.3°	179.7°
C4	C5	C5A	C6	174.1°	179.7°
C4	C5	C5A	H5A	180.0°	0.1°
C4	C5	C5A	H5A1	60.0°	120.0°
C4	C5	C5A	H5A2	60.0°	120.0°
C4	C5	C6	H6	176.9°	179.7°
C5	C5A	H5A	H5A1	120.0°	120.0°
C5	C5A	H5A	H5A2	120.0°	120.0°
C5	C5A	H5A1	H5A2	120.0°	120.0°
C5A	C5	C6	H6	2.4°	0.0°
C6	C5	C5A	H5A	5.9°	179.7°
C6	C5	C5A	H5A1	114.1°	59.7°
C6	C5	C5A	H5A2	125.9°	60.3°
H5A	C5A	H5A1	H5A2	120.0°	120.0°
CB	CA'	HA1	HA2	128.8°	120.0°
CA'	CB	SC	HB1	90.0°	120.1°
CA'	CB	SC	HB2	90.0°	120.0°
CA'	CB	HB1	HB2	90.0°	120.0°
CA'	CB	SC	CD	90.0°	180.0°
HA1	CA'	CB	SC	90.0°	60.0°
HA1	CA'	CB	HB1	90.0°	179.9°
HA1	CA'	CB	HB2	90.0°	60.0°
HA2	CA'	CB	SC	90.0°	60.0°
HA2	CA'	CB	HB1	90.0°	60.1°
HA2	CA'	CB	HB2	90.0°	180.0°
SC	CB	HB1	HB2	90.0°	119.9°
CB	SC	CD	HD1	90.0°	60.0°
CB	SC	CD	HD2	90.0°	60.0°
CB	SC	CD	HD3	90.0°	180.0°
HB1	CB	SC	CD	90.0°	59.9°
HB2	CB	SC	CD	90.0°	60.0°
SC	CD	HD1	HD2	90.0°	120.0°
SC	CD	HD1	HD3	90.0°	120.0°
SC	CD	HD2	HD3	90.0°	120.0°
HD1	CD	HD2	HD3	90.0°	120.0°

Definition date:	2002-09-10
Last modified:	2018-03-14
Release status:	REL
Processing site:	RCSB
Derived from:	1MLX