CEO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S1	C2	sing	1.82Å	1.86Å
S1	C6	sing	1.82Å	1.83Å
C2	C3	sing	1.51Å	1.53Å
C2	HC21	sing	1.09Å	1.12Å
C2	HC22	sing	1.09Å	1.11Å
C3	C3'	doub	1.33Å	1.39Å
C3	C4	sing	1.47Å	1.58Å
C3'	H3'1	sing	1.08Å	1.10Å
C3'	H3'2	sing	1.08Å	1.10Å
C4	C4'	sing	1.49Å	1.57Å
C4	N5	doub	1.28Å	1.45Å
C4'	O4A	sing	1.35Å	1.27Å
C4'	O4B	doub	1.21Å	1.26Å
O4A	H4A	sing	0.97Å	0.95Å
N5	C6	sing	1.45Å	1.51Å
C6	C7	sing	1.53Å	1.59Å
C6	HC6	sing	1.09Å	1.12Å
C7	C8	sing	1.51Å	1.52Å
C7	N10	sing	1.46Å	1.44Å
C7	HC7	sing	1.09Å	1.11Å
C8	O9	doub	1.21Å	1.26Å
C8	HC8	sing	1.08Å	1.10Å
N10	C11	sing	1.35Å	1.32Å
N10	H10	sing	0.97Å	1.02Å
C11	O12	doub	1.21Å	1.24Å
C11	C13	sing	1.51Å	1.51Å
C13	C14	sing	1.51Å	1.49Å
C13	H131	sing	1.09Å	1.12Å
C13	H132	sing	1.09Å	1.12Å
C14	C15	doub	1.36Å	1.40Å	Aromatic
C14	S19	sing	1.78Å	1.63Å	Aromatic
C15	C16	sing	1.38Å	1.46Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
C16	C17	doub	1.36Å	1.29Å	Aromatic
C16	H16	sing	1.08Å	1.10Å
C17	S19	sing	1.78Å	1.69Å	Aromatic
C17	H17	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	S1	C6	104.5°	98.9°
S1	C2	C3	112.6°	107.0°
S1	C2	HC21	111.1°	110.0°
S1	C2	HC22	111.0°	109.9°
S1	C6	N5	111.4°	110.8°
S1	C6	C7	109.3°	109.1°
S1	C6	HC6	110.6°	109.2°
C3	C2	HC21	111.0°	110.1°
C3	C2	HC22	111.1°	109.8°
C2	C3	C3'	118.4°	120.5°
C2	C3	C4	119.9°	119.0°
HC21	C2	HC22	99.3°	109.9°
C3'	C3	C4	121.6°	120.5°
C3	C3'	H3'1	121.7°	120.0°
C3	C3'	H3'2	118.4°	120.0°
C3	C4	C4'	121.5°	117.4°
C3	C4	N5	122.3°	125.2°
H3'1	C3'	H3'2	120.0°	119.9°
C4'	C4	N5	116.1°	117.4°
C4	C4'	O4A	118.5°	120.0°
C4	C4'	O4B	119.5°	120.0°
C4	N5	C6	127.7°	127.5°
O4A	C4'	O4B	121.9°	120.0°
C4'	O4A	H4A	118.5°	120.0°
N5	C6	C7	115.4°	109.3°
N5	C6	HC6	103.8°	109.2°
C7	C6	HC6	106.0°	109.3°
C6	C7	C8	117.4°	109.4°
C6	C7	N10	116.0°	109.4°
C6	C7	HC7	97.5°	109.5°
C8	C7	N10	107.3°	109.5°
C8	C7	HC7	108.0°	109.4°
C7	C8	O9	116.6°	120.0°
C7	C8	HC8	130.5°	120.0°
N10	C7	HC7	109.8°	109.6°
C7	N10	C11	121.3°	120.0°
C7	N10	H10	124.0°	120.1°
O9	C8	HC8	112.9°	120.0°
C11	N10	H10	114.7°	120.0°
N10	C11	O12	122.7°	120.0°
N10	C11	C13	115.1°	120.0°
O12	C11	C13	122.0°	120.0°
C11	C13	C14	120.3°	109.5°
C11	C13	H131	108.3°	109.5°
C11	C13	H132	108.3°	109.5°
C14	C13	H131	108.4°	109.4°
C14	C13	H132	108.4°	109.5°
C13	C14	C15	125.4°	129.0°
C13	C14	S19	119.6°	129.1°
H131	C13	H132	101.6°	109.4°
C15	C14	S19	115.0°	101.9°
C14	C15	C16	104.4°	119.0°
C14	C15	H15	126.3°	120.5°
C14	S19	C17	93.1°	98.2°
C16	C15	H15	129.3°	120.5°
C15	C16	C17	117.1°	119.0°
C15	C16	H16	127.1°	120.5°
C17	C16	H16	115.8°	120.6°
C16	C17	S19	110.3°	101.9°
C16	C17	H17	114.1°	129.0°
S19	C17	H17	135.6°	129.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	C2	C3	HC21	125.2°	119.5°
S1	C2	C3	HC22	125.2°	119.3°
S1	C2	HC21	HC22	116.9°	121.2°
S1	C2	C3	C3'	149.3°	136.6°
S1	C2	C3	C4	30.2°	43.8°
C2	S1	C6	N5	45.4°	50.1°
C2	S1	C6	C7	174.1°	170.5°
C2	S1	C6	HC6	69.5°	70.2°
C6	S1	C2	C3	49.7°	58.1°
C6	S1	C2	HC21	75.5°	61.5°
C6	S1	C2	HC22	175.0°	177.3°
S1	C6	N5	C4	23.6°	25.5°
S1	C6	N5	C7	125.4°	120.2°
S1	C6	N5	HC6	119.0°	120.3°
S1	C6	C7	HC6	119.3°	119.3°
S1	C6	C7	C8	154.1°	178.7°
S1	C6	C7	N10	77.1°	61.4°
S1	C6	C7	HC7	39.3°	58.7°
C3	C2	HC21	HC22	117.0°	121.2°
C2	C3	C3'	C4	179.4°	179.6°
C2	C3	C3'	H3'1	0.6°	172.9°
C2	C3	C3'	H3'2	180.0°	7.1°
C2	C3	C4	C4'	174.8°	168.3°
C2	C3	C4	N5	2.0°	12.0°
HC21	C2	C3	C3'	85.5°	103.9°
HC21	C2	C3	C4	95.1°	75.7°
HC22	C2	C3	C3'	24.0°	17.4°
HC22	C2	C3	C4	155.4°	163.1°
C3	C3'	H3'1	H3'2	179.3°	180.0°
C3'	C3	C4	C4'	5.8°	11.3°
C3'	C3	C4	N5	177.4°	168.4°
C4	C3	C3'	H3'1	180.0°	7.5°
C4	C3	C3'	H3'2	0.6°	172.5°
C3	C4	C4'	N5	177.0°	179.7°
C3	C4	C4'	O4A	130.7°	173.1°
C3	C4	C4'	O4B	47.1°	6.9°
C3	C4	N5	C6	2.0°	1.1°
C4	C4'	O4A	O4B	177.8°	180.0°
C4	C4'	O4A	H4A	180.0°	179.9°
C4'	C4	N5	C6	178.9°	179.1°
N5	C4	C4'	O4A	46.2°	6.6°
N5	C4	C4'	O4B	135.9°	173.4°
C4	N5	C6	C7	149.0°	145.7°
C4	N5	C6	HC6	95.4°	94.8°
O4B	C4'	O4A	H4A	2.2°	0.0°
N5	C6	C7	HC6	114.3°	119.4°
N5	C6	C7	C8	79.5°	60.1°
N5	C6	C7	N10	49.4°	59.9°
N5	C6	C7	HC7	165.7°	180.0°
C6	C7	C8	N10	132.8°	119.9°
C6	C7	C8	HC7	108.8°	120.0°
C6	C7	N10	HC7	109.2°	120.1°
C6	C7	C8	O9	29.8°	120.0°
C6	C7	C8	HC8	150.2°	60.0°
C6	C7	N10	C11	96.0°	150.0°
C6	C7	N10	H10	84.1°	29.9°
HC6	C6	C7	C8	34.8°	59.3°
HC6	C6	C7	N10	163.7°	179.3°
HC6	C6	C7	HC7	80.0°	60.6°
C8	C7	N10	HC7	117.2°	120.0°
C7	C8	O9	HC8	180.0°	180.0°
C8	C7	N10	C11	130.4°	90.1°
C8	C7	N10	H10	49.5°	90.0°
N10	C7	C8	O9	103.1°	0.0°
N10	C7	C8	HC8	76.9°	179.9°
C7	N10	C11	H10	179.9°	179.9°
C7	N10	C11	O12	2.7°	0.1°
C7	N10	C11	C13	172.0°	180.0°
HC7	C7	C8	O9	138.6°	120.1°
HC7	C7	C8	HC8	41.4°	60.0°
HC7	C7	N10	C11	13.2°	30.0°
HC7	C7	N10	H10	166.7°	150.0°
N10	C11	O12	C13	174.4°	179.9°
N10	C11	C13	C14	138.5°	180.0°
N10	C11	C13	H131	96.2°	60.0°
N10	C11	C13	H132	13.2°	60.0°
H10	N10	C11	O12	177.4°	180.0°
H10	N10	C11	C13	7.9°	0.1°
O12	C11	C13	C14	46.7°	0.0°
O12	C11	C13	H131	78.6°	120.0°
O12	C11	C13	H132	172.0°	120.1°
C11	C13	C14	H131	125.3°	120.0°
C11	C13	C14	H132	125.3°	120.0°
C11	C13	H131	H132	113.9°	120.0°
C11	C13	C14	C15	35.0°	89.7°
C11	C13	C14	S19	145.8°	90.0°
C14	C13	H131	H132	114.0°	120.0°
C13	C14	C15	S19	179.2°	179.8°
C13	C14	C15	C16	179.5°	179.8°
C13	C14	C15	H15	0.5°	0.3°
C13	C14	S19	C17	179.5°	180.0°
H131	C13	C14	C15	90.2°	30.3°
H131	C13	C14	S19	88.9°	150.0°
H132	C13	C14	C15	160.3°	150.2°
H132	C13	C14	S19	20.6°	30.1°
C14	C15	C16	H15	180.0°	179.6°
C14	C15	C16	C17	0.2°	0.5°
C14	C15	C16	H16	179.8°	179.7°
C15	C14	S19	C17	0.3°	0.2°
S19	C14	C15	C16	0.3°	0.4°
S19	C14	C15	H15	179.7°	180.0°
C14	S19	C17	C16	0.1°	0.0°
C14	S19	C17	H17	179.9°	180.0°
C15	C16	C17	H16	180.0°	179.8°
C15	C16	C17	S19	0.0°	0.3°
C15	C16	C17	H17	180.0°	179.8°
H15	C15	C16	C17	179.8°	179.9°
H15	C15	C16	H16	0.2°	0.2°
C16	C17	S19	H17	180.0°	180.0°
H16	C16	C17	S19	180.0°	180.0°
H16	C16	C17	H17	0.0°	0.0°

Definition date:	2002-02-11
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1KVM