ILK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
SE4	C1'	sing	1.99Å	1.94Å
SE4	C4'	sing	1.98Å	1.92Å
C1'	N1	sing	1.46Å	1.47Å
C1'	C2'	sing	1.56Å	1.54Å
C4'	C5'	sing	1.53Å	1.52Å
C4'	C3'	sing	1.54Å	1.53Å
N1	C6	sing	1.37Å	1.39Å
N1	C2	sing	1.35Å	1.45Å
O2	C2	doub	1.22Å	1.24Å
C6	C5	doub	1.35Å	1.39Å
C5'	O5'	sing	1.43Å	1.38Å
O2'	C2'	sing	1.43Å	1.42Å
C2	N3	sing	1.35Å	1.43Å
C5	C4	sing	1.42Å	1.46Å
O5'	P	sing	1.61Å	1.73Å
N3	C4	sing	1.35Å	1.32Å
C2'	C3'	sing	1.52Å	1.56Å
C4	O4	doub	1.22Å	1.39Å
P	OP2	sing	1.61Å	1.49Å
P	OP1	doub	1.48Å	1.48Å
C3'	O3'	sing	1.43Å	1.43Å
C1'	H1	sing	1.09Å	1.10Å
C2'	H2	sing	1.09Å	1.10Å
C3'	H3	sing	1.09Å	1.10Å
C4'	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.08Å	1.08Å
C5'	H6	sing	1.09Å	1.10Å
C5'	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.08Å	1.08Å
N3	H9	sing	0.97Å	1.00Å
O2'	H10	sing	0.97Å	0.95Å
O3'	H11	sing	0.97Å	0.95Å
OP2	H13	sing	0.97Å	0.95Å
P	OP3	sing	1.61Å	1.56Å
OP3	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1'	SE4	C4'	95.9°	92.5°
SE4	C1'	N1	107.6°	111.4°
SE4	C1'	C2'	100.4°	99.7°
SE4	C1'	H1	108.0°	111.4°
SE4	C4'	C5'	114.9°	110.5°
SE4	C4'	C3'	103.9°	103.7°
SE4	C4'	H4	105.7°	110.7°
N1	C1'	C2'	112.8°	111.4°
C1'	N1	C6	127.0°	119.7°
C1'	N1	C2	117.2°	119.7°
N1	C1'	H1	114.1°	111.2°
C1'	C2'	O2'	108.2°	109.1°
C1'	C2'	C3'	111.4°	111.4°
C2'	C1'	H1	112.9°	111.3°
C1'	C2'	H2	108.6°	109.0°
C5'	C4'	C3'	112.2°	110.6°
C4'	C5'	O5'	107.4°	109.5°
C5'	C4'	H4	109.9°	110.5°
C4'	C5'	H6	110.0°	109.5°
C4'	C5'	H7	110.0°	109.5°
C4'	C3'	C2'	106.5°	115.5°
C4'	C3'	O3'	112.7°	108.2°
C4'	C3'	H3	110.2°	108.2°
C3'	C4'	H4	109.9°	110.6°
C6	N1	C2	115.8°	120.6°
N1	C6	C5	124.8°	119.7°
N1	C6	H8	117.6°	120.1°
N1	C2	O2	115.0°	119.5°
N1	C2	N3	120.3°	120.9°
O2	C2	N3	124.7°	119.6°
C6	C5	C4	116.5°	119.1°
C6	C5	H5	121.7°	120.4°
C5	C6	H8	117.6°	120.2°
C5'	O5'	P	126.5°	123.0°
O5'	C5'	H6	110.0°	109.5°
O5'	C5'	H7	110.0°	109.4°
O2'	C2'	C3'	110.2°	109.1°
O2'	C2'	H2	110.2°	109.0°
C2'	O2'	H10	109.5°	113.9°
C2	N3	C4	120.9°	120.3°
C2	N3	H9	119.5°	119.9°
C5	C4	N3	121.5°	119.4°
C5	C4	O4	118.2°	120.3°
C4	C5	H5	121.8°	120.5°
O5'	P	OP2	108.2°	109.5°
O5'	P	OP1	105.2°	109.5°
O5'	P	OP3	107.7°	109.5°
N3	C4	O4	120.3°	120.3°
C4	N3	H9	119.5°	119.9°
C2'	C3'	O3'	105.9°	108.2°
C3'	C2'	H2	108.3°	109.1°
C2'	C3'	H3	109.7°	108.3°
OP2	P	OP1	119.1°	109.4°
P	OP2	H13	109.5°	114.0°
OP2	P	OP3	113.3°	109.5°
OP1	P	OP3	102.5°	109.5°
O3'	C3'	H3	111.6°	108.1°
C3'	O3'	H11	109.5°	114.0°
H6	C5'	H7	109.5°	109.5°
P	OP3	H12	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
SE4	C1'	N1	C2'	109.8°	110.3°
SE4	C1'	N1	H1	119.7°	124.9°
SE4	C1'	C2'	H1	114.7°	117.7°
C1'	SE4	C4'	C5'	137.3°	136.8°
C1'	SE4	C4'	C3'	14.4°	18.3°
SE4	C1'	N1	C6	23.3°	33.2°
SE4	C1'	N1	C2	157.1°	146.8°
SE4	C1'	C2'	O2'	83.2°	163.1°
SE4	C1'	C2'	C3'	38.1°	42.5°
SE4	C1'	C2'	H2	157.2°	78.0°
C1'	SE4	C4'	H4	101.3°	100.4°
C4'	SE4	C1'	N1	105.3°	151.6°
C4'	SE4	C1'	C2'	12.8°	34.0°
SE4	C4'	C5'	C3'	118.4°	114.3°
SE4	C4'	C5'	H4	119.1°	122.9°
SE4	C4'	C3'	H4	112.7°	118.8°
SE4	C4'	C5'	O5'	62.7°	59.3°
SE4	C4'	C3'	C2'	37.5°	3.9°
SE4	C4'	C3'	O3'	153.2°	117.7°
C4'	SE4	C1'	H1	131.2°	83.6°
SE4	C4'	C3'	H3	81.4°	125.4°
SE4	C4'	C5'	H6	57.0°	60.7°
SE4	C4'	C5'	H7	177.7°	179.3°
N1	C1'	C2'	H1	131.1°	124.7°
C1'	N1	C6	C2	179.7°	180.0°
C1'	N1	C2	O2	1.0°	0.3°
C1'	N1	C6	C5	176.9°	180.0°
N1	C1'	C2'	O2'	162.6°	79.3°
C1'	N1	C2	N3	176.8°	180.0°
N1	C1'	C2'	C3'	76.1°	160.2°
N1	C1'	C2'	H2	43.0°	39.7°
C1'	N1	C6	H8	3.1°	0.0°
C1'	C2'	C3'	C4'	53.0°	32.9°
C2'	C1'	N1	C6	86.5°	77.1°
C2'	C1'	N1	C2	93.2°	102.9°
C1'	C2'	O2'	C3'	122.0°	121.9°
C1'	C2'	O2'	H2	118.6°	119.0°
C1'	C2'	C3'	H2	119.3°	120.5°
C1'	C2'	C3'	O3'	173.2°	88.6°
C1'	C2'	C3'	H3	66.2°	154.4°
C1'	C2'	O2'	H10	180.0°	180.0°
C5'	C4'	C3'	H4	122.6°	122.7°
C4'	C5'	O5'	H6	119.7°	120.1°
C4'	C5'	O5'	H7	119.7°	120.0°
C4'	C5'	O5'	P	175.5°	180.0°
C5'	C4'	C3'	C2'	162.1°	114.6°
C5'	C4'	C3'	O3'	82.2°	123.8°
C5'	C4'	C3'	H3	43.3°	6.9°
C4'	C5'	H6	H7	120.9°	120.0°
C3'	C4'	C5'	O5'	55.7°	55.0°
C4'	C3'	C2'	O2'	67.1°	153.4°
C4'	C3'	C2'	O3'	120.2°	121.5°
C4'	C3'	C2'	H3	119.2°	121.5°
C4'	C3'	O3'	H3	124.6°	117.0°
C4'	C3'	C2'	H2	172.3°	87.6°
C3'	C4'	C5'	H6	175.4°	175.0°
C3'	C4'	C5'	H7	64.0°	65.0°
C4'	C3'	O3'	H11	180.0°	172.6°
C6	N1	C2	O2	178.7°	179.8°
N1	C6	C5	H8	180.0°	180.0°
C6	N1	C2	N3	3.5°	0.0°
N1	C6	C5	C4	2.1°	0.1°
C6	N1	C1'	H1	143.0°	158.1°
N1	C6	C5	H5	177.9°	180.0°
N1	C2	O2	N3	177.6°	179.8°
C2	N1	C6	C5	3.4°	0.0°
N1	C2	N3	C4	2.5°	0.1°
C2	N1	C1'	H1	37.3°	21.8°
C2	N1	C6	H8	176.6°	180.0°
N1	C2	N3	H9	177.5°	180.0°
O2	C2	N3	C4	180.0°	179.7°
O2	C2	N3	H9	0.0°	0.2°
C6	C5	C4	H5	180.0°	179.9°
C6	C5	C4	N3	0.7°	0.1°
C6	C5	C4	O4	179.8°	180.0°
C5'	O5'	P	OP2	176.0°	65.0°
C5'	O5'	P	OP1	47.6°	55.0°
O5'	C5'	C4'	H4	178.2°	177.8°
O5'	C5'	H6	H7	120.9°	120.0°
C5'	O5'	P	OP3	61.1°	175.0°
O2'	C2'	C3'	H2	120.6°	119.0°
O2'	C2'	C3'	O3'	53.2°	31.9°
O2'	C2'	C1'	H1	31.5°	45.4°
O2'	C2'	C3'	H3	173.7°	85.1°
C2	N3	C4	C5	1.0°	0.1°
C2	N3	C4	H9	180.0°	179.9°
C2	N3	C4	O4	179.5°	180.0°
C5	C4	N3	O4	179.5°	179.9°
C4	C5	C6	H8	178.0°	180.0°
C5	C4	N3	H9	179.0°	180.0°
O5'	P	OP2	OP1	120.0°	120.0°
O5'	P	OP2	OP3	119.4°	120.0°
O5'	P	OP1	OP3	112.5°	120.0°
P	O5'	C5'	H6	55.8°	60.0°
P	O5'	C5'	H7	64.8°	60.0°
O5'	P	OP2	H13	120.0°	60.0°
O5'	P	OP3	H12	110.6°	180.0°
N3	C4	C5	H5	179.3°	180.0°
C2'	C3'	O3'	H3	119.3°	117.1°
C3'	C2'	C1'	H1	152.7°	75.1°
C2'	C3'	C4'	H4	75.3°	122.6°
C3'	C2'	O2'	H10	57.9°	58.1°
C2'	C3'	O3'	H11	63.9°	61.5°
O4	C4	C5	H5	0.2°	0.1°
O4	C4	N3	H9	0.4°	0.1°
OP2	P	OP1	OP3	126.0°	120.0°
OP2	P	OP3	H12	129.7°	60.0°
OP1	P	OP2	H13	0.0°	180.0°
OP1	P	OP3	H12	0.0°	60.0°
O3'	C3'	C2'	H2	67.4°	150.9°
O3'	C3'	C4'	H4	40.4°	1.1°
H1	C1'	C2'	H2	88.1°	164.4°
H2	C2'	C3'	H3	53.2°	33.9°
H2	C2'	O2'	H10	61.4°	61.0°
H3	C3'	C4'	H4	165.9°	115.9°
H3	C3'	O3'	H11	55.4°	55.6°
H4	C4'	C5'	H6	62.1°	62.2°
H4	C4'	C5'	H7	58.6°	57.8°
H5	C5	C6	H8	2.0°	0.0°
H13	OP2	P	OP3	120.6°	60.0°

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