IKS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
SE4	C1'	sing	1.99Å	1.93Å
SE4	C4'	sing	1.99Å	1.95Å
O2	C2	doub	1.22Å	1.25Å
C1'	N1	sing	1.46Å	1.45Å
C1'	C2'	sing	1.55Å	1.55Å
C2	N1	sing	1.35Å	1.45Å
C2	N3	sing	1.33Å	1.43Å
N1	C6	sing	1.36Å	1.39Å
O2'	C2'	sing	1.43Å	1.46Å
C4'	C5'	sing	1.53Å	1.51Å
C4'	C3'	sing	1.55Å	1.52Å
N3	C4	doub	1.33Å	1.36Å
C2'	C3'	sing	1.52Å	1.58Å
C6	C5	doub	1.35Å	1.39Å
C5'	O5'	sing	1.43Å	1.38Å
C4	C5	sing	1.41Å	1.48Å
C4	N4	sing	1.38Å	1.39Å
O5'	P	sing	1.61Å	1.74Å
C3'	O3'	sing	1.43Å	1.45Å
P	OP1	doub	1.48Å	1.47Å
P	OP2	sing	1.61Å	1.48Å
OP2	H2	sing	0.97Å	0.95Å
C5'	H3	sing	1.09Å	1.10Å
C5'	H4	sing	1.09Å	1.10Å
C4'	H5	sing	1.09Å	1.10Å
C3'	H6	sing	1.09Å	1.10Å
O3'	H7	sing	0.97Å	0.95Å
C2'	H8	sing	1.09Å	1.10Å
O2'	H9	sing	0.97Å	0.95Å
C1'	H10	sing	1.09Å	1.10Å
N4	H11	sing	0.97Å	1.00Å
N4	H12	sing	0.97Å	1.00Å
C5	H13	sing	1.08Å	1.08Å
C6	H14	sing	1.08Å	1.08Å
P	OP3	sing	1.61Å	1.55Å
OP3	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1'	SE4	C4'	93.6°	91.7°
SE4	C1'	N1	108.7°	111.0°
SE4	C1'	C2'	100.4°	101.3°
SE4	C1'	H10	109.5°	111.1°
SE4	C4'	C5'	111.6°	111.0°
SE4	C4'	C3'	108.7°	101.4°
SE4	C4'	H5	105.8°	111.1°
O2	C2	N1	116.2°	119.4°
O2	C2	N3	120.2°	119.5°
N1	C1'	C2'	105.9°	111.1°
C1'	N1	C2	115.0°	119.9°
C1'	N1	C6	130.2°	119.8°
N1	C1'	H10	116.4°	110.9°
C1'	C2'	O2'	110.4°	108.2°
C1'	C2'	C3'	115.7°	115.7°
C1'	C2'	H8	107.7°	108.3°
C2'	C1'	H10	114.6°	111.1°
N1	C2	N3	123.7°	121.1°
C2	N1	C6	114.8°	120.3°
C2	N3	C4	120.4°	120.7°
N1	C6	C5	122.2°	119.3°
N1	C6	H14	118.9°	120.3°
O2'	C2'	C3'	106.5°	108.2°
O2'	C2'	H8	108.9°	108.1°
C2'	O2'	H9	109.5°	114.0°
C5'	C4'	C3'	109.6°	111.0°
C4'	C5'	O5'	107.8°	109.5°
C4'	C5'	H3	109.9°	109.5°
C4'	C5'	H4	109.9°	109.5°
C5'	C4'	H5	110.6°	110.9°
C4'	C3'	C2'	100.8°	115.6°
C4'	C3'	O3'	115.8°	108.2°
C3'	C4'	H5	110.5°	111.0°
C4'	C3'	H6	108.6°	108.2°
N3	C4	C5	116.7°	119.6°
N3	C4	N4	122.4°	120.2°
C2'	C3'	O3'	113.8°	108.3°
C2'	C3'	H6	107.8°	108.2°
C3'	C2'	H8	107.4°	108.2°
C6	C5	C4	122.2°	119.0°
C6	C5	H13	118.9°	120.5°
C5	C6	H14	118.9°	120.4°
C5'	O5'	P	125.6°	123.0°
O5'	C5'	H3	109.9°	109.4°
O5'	C5'	H4	109.9°	109.5°
C5	C4	N4	120.8°	120.2°
C4	C5	H13	118.9°	120.5°
C4	N4	H11	120.0°	120.0°
C4	N4	H12	120.0°	120.0°
O5'	P	OP1	105.0°	109.5°
O5'	P	OP2	101.8°	109.5°
O5'	P	OP3	106.4°	109.4°
O3'	C3'	H6	109.6°	108.1°
C3'	O3'	H7	109.5°	114.0°
OP1	P	OP2	119.5°	109.5°
OP1	P	OP3	104.5°	109.5°
P	OP2	H2	109.5°	114.0°
OP2	P	OP3	118.1°	109.5°
H3	C5'	H4	109.5°	109.5°
H11	N4	H12	120.0°	120.0°
P	OP3	H1	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
SE4	C1'	N1	C2'	107.2°	112.0°
SE4	C1'	N1	H10	124.1°	124.0°
SE4	C1'	C2'	H10	117.2°	118.1°
SE4	C1'	N1	C2	155.8°	145.5°
SE4	C1'	N1	C6	26.9°	34.3°
SE4	C1'	C2'	O2'	83.4°	146.3°
C1'	SE4	C4'	C5'	137.9°	150.9°
C1'	SE4	C4'	C3'	16.9°	32.8°
SE4	C1'	C2'	C3'	37.6°	24.8°
C1'	SE4	C4'	H5	101.8°	85.2°
SE4	C1'	C2'	H8	157.7°	96.8°
C4'	SE4	C1'	N1	100.4°	150.9°
C4'	SE4	C1'	C2'	10.5°	32.9°
SE4	C4'	C5'	C3'	120.5°	112.0°
SE4	C4'	C5'	H5	117.5°	124.0°
SE4	C4'	C3'	H5	115.7°	118.0°
SE4	C4'	C3'	C2'	36.9°	24.8°
SE4	C4'	C5'	O5'	61.4°	57.0°
SE4	C4'	C3'	O3'	160.1°	146.4°
SE4	C4'	C5'	H3	58.4°	177.0°
SE4	C4'	C5'	H4	178.9°	63.0°
SE4	C4'	C3'	H6	76.2°	96.8°
C4'	SE4	C1'	H10	131.4°	85.2°
O2	C2	N1	C1'	1.7°	0.0°
O2	C2	N1	N3	180.0°	179.9°
O2	C2	N1	C6	179.4°	179.8°
O2	C2	N3	C4	179.9°	180.0°
N1	C1'	C2'	H10	129.8°	123.9°
C1'	N1	C2	C6	177.7°	179.8°
C1'	N1	C2	N3	178.3°	179.9°
N1	C1'	C2'	O2'	163.5°	95.7°
N1	C1'	C2'	C3'	75.4°	142.8°
C1'	N1	C6	C5	179.1°	179.7°
N1	C1'	C2'	H8	44.7°	21.2°
C1'	N1	C6	H14	0.9°	0.0°
C2'	C1'	N1	C2	97.1°	102.6°
C2'	C1'	N1	C6	80.2°	77.7°
C1'	C2'	O2'	C3'	126.4°	126.0°
C1'	C2'	O2'	H8	118.1°	117.0°
C1'	C2'	C3'	C4'	51.1°	0.0°
C1'	C2'	C3'	H8	120.3°	121.6°
C1'	C2'	C3'	O3'	175.7°	121.5°
C1'	C2'	C3'	H6	62.6°	121.6°
C1'	C2'	O2'	H9	180.0°	172.5°
N1	C2	N3	C4	0.1°	0.1°
C2	N1	C6	C5	1.8°	0.5°
C2	N1	C1'	H10	31.7°	21.4°
C2	N1	C6	H14	178.2°	179.7°
N3	C2	N1	C6	0.6°	0.2°
C2	N3	C4	C5	0.6°	0.0°
C2	N3	C4	N4	179.4°	180.0°
N1	C6	C5	H14	180.0°	179.8°
N1	C6	C5	C4	2.6°	0.5°
C6	N1	C1'	H10	151.1°	158.3°
N1	C6	C5	H13	177.5°	179.8°
O2'	C2'	C3'	C4'	72.1°	121.5°
O2'	C2'	C3'	H8	116.5°	116.9°
O2'	C2'	C3'	O3'	52.5°	0.1°
O2'	C2'	C3'	H6	174.3°	117.0°
O2'	C2'	C1'	H10	33.8°	28.2°
C5'	C4'	C3'	H5	122.1°	123.9°
C5'	C4'	C3'	C2'	159.1°	142.8°
C4'	C5'	O5'	H3	119.7°	120.0°
C4'	C5'	O5'	H4	119.8°	120.0°
C4'	C5'	O5'	P	155.6°	180.0°
C5'	C4'	C3'	O3'	77.7°	95.6°
C4'	C5'	H3	H4	120.7°	120.0°
C5'	C4'	C3'	H6	46.0°	21.3°
C4'	C3'	C2'	O3'	124.6°	121.6°
C4'	C3'	C2'	H6	113.6°	121.5°
C3'	C4'	C5'	O5'	59.1°	55.0°
C4'	C3'	O3'	H6	123.2°	117.0°
C3'	C4'	C5'	H3	178.9°	65.0°
C3'	C4'	C5'	H4	60.7°	175.0°
C4'	C3'	O3'	H7	180.0°	180.0°
C4'	C3'	C2'	H8	171.4°	121.6°
N3	C4	C5	C6	1.9°	0.3°
N3	C4	C5	N4	178.8°	180.0°
N3	C4	N4	H11	0.0°	0.0°
N3	C4	N4	H12	180.0°	180.0°
N3	C4	C5	H13	178.1°	180.0°
C2'	C3'	O3'	H6	120.8°	117.0°
C2'	C3'	C4'	H5	78.8°	93.3°
C2'	C3'	O3'	H7	63.9°	54.0°
C3'	C2'	O2'	H9	53.6°	61.5°
C3'	C2'	C1'	H10	154.8°	93.3°
C6	C5	C4	H13	180.0°	179.7°
C6	C5	C4	N4	179.3°	179.7°
C5'	O5'	P	OP1	34.3°	55.0°
C5'	O5'	P	OP2	159.5°	175.0°
O5'	C5'	H3	H4	120.8°	120.0°
O5'	C5'	C4'	H5	178.9°	179.0°
C5'	O5'	P	OP3	76.2°	65.0°
C5	C4	N4	H11	178.7°	180.0°
C5	C4	N4	H12	1.3°	0.0°
C4	C5	C6	H14	177.4°	179.7°
C4	N4	H11	H12	180.0°	180.0°
N4	C4	C5	H13	0.7°	0.0°
O5'	P	OP1	OP2	113.3°	120.0°
O5'	P	OP1	OP3	111.9°	119.9°
O5'	P	OP2	OP3	116.0°	120.0°
O5'	P	OP2	H2	115.0°	180.0°
P	O5'	C5'	H3	35.8°	60.0°
P	O5'	C5'	H4	84.7°	60.0°
O5'	P	OP3	H1	110.8°	60.1°
O3'	C3'	C4'	H5	44.4°	28.3°
O3'	C3'	C2'	H8	64.0°	116.8°
OP1	P	OP2	OP3	129.0°	120.0°
OP1	P	OP2	H2	0.0°	59.9°
OP1	P	OP3	H1	0.0°	180.0°
OP2	P	OP3	H1	135.7°	59.9°
H2	OP2	P	OP3	128.9°	60.1°
H3	C5'	C4'	H5	59.1°	59.0°
H4	C5'	C4'	H5	61.4°	61.0°
H5	C4'	C3'	H6	168.1°	145.2°
H6	C3'	O3'	H7	56.8°	63.1°
H6	C3'	C2'	H8	57.7°	0.1°
H8	C2'	O2'	H9	61.9°	55.5°
H8	C2'	C1'	H10	85.1°	145.1°
H13	C5	C6	H14	2.6°	0.0°

Release date:	2023-05-03
Definition date:	2022-07-07
Last modified:	2023-04-28
Release status:	REL
Processing site:	PDBJ
Derived from:	7Y8P