A1CVE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.42Å
C1	C2	sing	1.53Å	1.51Å
C2	N1	sing	1.47Å	1.46Å
N1	C3	sing	1.35Å	1.33Å
C3	S1	doub	1.71Å	1.68Å
C3	N2	sing	1.35Å	1.33Å
N2	C4	sing	1.46Å	1.47Å
C4	C5	sing	1.53Å	1.52Å
C5	C6	sing	1.53Å	1.53Å
C6	C7	sing	1.53Å	1.51Å
C7	C8	sing	1.53Å	1.51Å
C8	C9	sing	1.53Å	1.53Å
C4	C9	sing	1.53Å	1.52Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C7	H13	sing	1.09Å	1.10Å
C7	H14	sing	1.09Å	1.10Å
C8	H15	sing	1.09Å	1.10Å
C8	H16	sing	1.09Å	1.10Å
C9	H17	sing	1.09Å	1.10Å
C9	H18	sing	1.09Å	1.10Å
N1	H6	sing	0.97Å	1.00Å
N2	H7	sing	0.97Å	1.00Å
O1	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	111.3°	109.5°
O1	C1	H2	109.0°	109.4°
O1	C1	H3	109.0°	109.5°
C1	O1	H1	109.5°	114.0°
C1	C2	N1	113.0°	109.5°
C2	C1	H2	109.0°	109.5°
C2	C1	H3	109.0°	109.5°
C1	C2	H4	108.6°	109.4°
C1	C2	H5	108.6°	109.5°
C2	N1	C3	125.0°	120.0°
N1	C2	H4	108.6°	109.5°
N1	C2	H5	108.6°	109.5°
C2	N1	H6	117.5°	120.0°
N1	C3	S1	121.4°	120.0°
N1	C3	N2	115.7°	120.0°
C3	N1	H6	117.5°	120.1°
S1	C3	N2	122.9°	120.0°
C3	N2	C4	125.0°	120.0°
C3	N2	H7	117.5°	120.0°
N2	C4	C5	110.8°	109.5°
N2	C4	C9	110.4°	109.5°
N2	C4	H8	108.7°	109.5°
C4	N2	H7	117.5°	120.0°
C4	C5	C6	110.2°	109.5°
C5	C4	C9	110.9°	109.4°
C5	C4	H8	108.0°	109.4°
C4	C5	H10	109.3°	109.5°
C4	C5	H9	109.3°	109.5°
C5	C6	C7	111.2°	109.4°
C6	C5	H10	109.3°	109.5°
C6	C5	H9	109.3°	109.4°
C5	C6	H11	109.0°	109.5°
C5	C6	H12	109.1°	109.6°
C6	C7	C8	110.1°	109.5°
C7	C6	H11	109.0°	109.4°
C7	C6	H12	109.0°	109.5°
C6	C7	H13	109.3°	109.5°
C6	C7	H14	109.3°	109.5°
C7	C8	C9	111.2°	109.4°
C8	C7	H13	109.3°	109.5°
C8	C7	H14	109.3°	109.4°
C7	C8	H15	109.0°	109.5°
C7	C8	H16	109.0°	109.5°
C8	C9	C4	110.4°	109.5°
C9	C8	H15	109.0°	109.5°
C9	C8	H16	109.0°	109.5°
C8	C9	H17	109.2°	109.4°
C8	C9	H18	109.2°	109.5°
C9	C4	H8	108.0°	109.5°
C4	C9	H17	109.2°	109.4°
C4	C9	H18	109.2°	109.5°
H2	C1	H3	109.5°	109.5°
H4	C2	H5	109.5°	109.5°
H10	C5	H9	109.5°	109.4°
H11	C6	H12	109.5°	109.5°
H13	C7	H14	109.5°	109.4°
H15	C8	H16	109.5°	109.5°
H17	C9	H18	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	H2	120.3°	120.0°
O1	C1	C2	H3	120.3°	120.0°
O1	C1	C2	N1	69.3°	65.0°
O1	C1	H2	H3	119.2°	120.0°
O1	C1	C2	H4	51.2°	175.0°
O1	C1	C2	H5	170.1°	55.0°
C1	C2	N1	H4	120.5°	119.9°
C1	C2	N1	H5	120.5°	120.0°
C1	C2	N1	C3	99.8°	180.0°
C2	C1	H2	H3	119.2°	120.0°
C1	C2	H4	H5	118.3°	120.0°
C1	C2	N1	H6	80.1°	0.1°
C2	C1	O1	H1	180.0°	180.0°
C2	N1	C3	H6	180.0°	179.9°
C2	N1	C3	S1	178.0°	0.0°
C2	N1	C3	N2	2.6°	179.9°
N1	C2	C1	H2	170.4°	175.0°
N1	C2	C1	H3	51.0°	54.9°
N1	C2	H4	H5	118.4°	120.1°
N1	C3	S1	N2	179.4°	180.0°
N1	C3	N2	C4	178.0°	180.0°
C3	N1	C2	H4	20.7°	60.1°
C3	N1	C2	H5	139.6°	60.0°
N1	C3	N2	H7	2.0°	0.0°
S1	C3	N2	C4	1.4°	0.0°
S1	C3	N1	H6	2.1°	180.0°
S1	C3	N2	H7	178.6°	180.0°
C3	N2	C4	H7	180.0°	180.0°
C3	N2	C4	C5	120.8°	155.0°
C3	N2	C4	C9	116.0°	85.1°
C3	N2	C4	H8	2.3°	35.0°
N2	C3	N1	H6	177.3°	0.0°
N2	C4	C5	C9	123.0°	120.0°
N2	C4	C5	H8	118.9°	120.0°
N2	C4	C5	C6	179.8°	180.0°
N2	C4	C9	C8	179.8°	180.0°
N2	C4	C9	H8	118.7°	120.1°
N2	C4	C5	H10	59.7°	60.0°
N2	C4	C5	H9	60.1°	60.0°
N2	C4	C9	H17	59.7°	60.1°
N2	C4	C9	H18	60.0°	60.0°
C4	C5	C6	H10	120.1°	120.1°
C4	C5	C6	H9	120.1°	119.9°
C4	C5	C6	C7	57.2°	60.1°
C5	C4	C9	C8	56.6°	60.0°
C5	C4	C9	H8	118.1°	120.0°
C4	C5	H10	H9	119.7°	120.0°
C4	C5	C6	H11	177.4°	180.0°
C4	C5	C6	H12	63.1°	59.9°
C5	C4	C9	H17	63.5°	180.0°
C5	C4	C9	H18	176.7°	60.0°
C5	C4	N2	H7	59.2°	25.0°
C5	C6	C7	H11	120.2°	120.0°
C5	C6	C7	H12	120.3°	120.1°
C5	C6	C7	C8	57.2°	60.1°
C6	C5	C4	C9	56.8°	60.1°
C6	C5	C4	H8	61.3°	59.9°
C6	C5	H10	H9	119.7°	120.0°
C5	C6	H11	H12	119.2°	120.1°
C5	C6	C7	H13	62.9°	60.0°
C5	C6	C7	H14	177.2°	180.0°
C6	C7	C8	H13	120.1°	120.1°
C6	C7	C8	H14	120.1°	120.0°
C6	C7	C8	C9	56.9°	60.0°
C7	C6	C5	H10	62.9°	60.0°
C7	C6	C5	H9	177.3°	180.0°
C7	C6	H11	H12	119.2°	120.0°
C6	C7	H13	H14	119.7°	120.1°
C6	C7	C8	H15	177.1°	180.0°
C6	C7	C8	H16	63.3°	59.9°
C7	C8	C9	H15	120.2°	120.0°
C7	C8	C9	H16	120.2°	120.0°
C7	C8	C9	C4	56.8°	60.0°
C8	C7	C6	H11	177.4°	180.0°
C8	C7	C6	H12	63.1°	60.0°
C8	C7	H13	H14	119.7°	119.9°
C7	C8	H15	H16	119.2°	120.0°
C7	C8	C9	H17	63.3°	180.0°
C7	C8	C9	H18	176.9°	60.0°
C8	C9	C4	H17	120.1°	119.9°
C8	C9	C4	H18	120.1°	120.0°
C8	C9	C4	H8	61.5°	59.9°
C9	C8	C7	H13	63.2°	60.0°
C9	C8	C7	H14	177.0°	180.0°
C9	C8	H15	H16	119.2°	120.0°
C8	C9	H17	H18	119.5°	120.0°
C9	C4	C5	H10	63.3°	60.0°
C9	C4	C5	H9	176.9°	180.0°
C4	C9	C8	H15	177.1°	180.0°
C4	C9	C8	H16	63.4°	59.9°
C4	C9	H17	H18	119.6°	120.1°
C9	C4	N2	H7	64.0°	95.0°
H2	C1	C2	H4	69.1°	55.1°
H2	C1	C2	H5	49.8°	64.9°
H2	C1	O1	H1	59.8°	60.0°
H3	C1	C2	H4	171.5°	65.0°
H3	C1	C2	H5	69.6°	175.0°
H3	C1	O1	H1	59.7°	60.0°
H4	C2	N1	H6	159.4°	120.0°
H5	C2	N1	H6	40.4°	120.0°
H8	C4	C5	H10	178.6°	180.0°
H8	C4	C5	H9	58.8°	60.0°
H8	C4	C9	H17	178.4°	60.0°
H8	C4	C9	H18	58.6°	179.9°
H8	C4	N2	H7	177.7°	145.0°
H10	C5	C6	H11	57.3°	59.9°
H10	C5	C6	H12	176.8°	180.0°
H9	C5	C6	H11	62.4°	60.0°
H9	C5	C6	H12	57.0°	60.0°
H11	C6	C7	H13	57.3°	60.0°
H11	C6	C7	H14	62.5°	60.0°
H12	C6	C7	H13	176.8°	180.0°
H12	C6	C7	H14	57.0°	59.9°
H13	C7	C8	H15	57.1°	60.0°
H13	C7	C8	H16	176.6°	180.0°
H14	C7	C8	H15	62.8°	60.0°
H14	C7	C8	H16	56.8°	60.1°
H15	C8	C9	H17	56.9°	60.0°
H15	C8	C9	H18	62.8°	60.0°
H16	C8	C9	H17	176.5°	60.0°
H16	C8	C9	H18	56.7°	180.0°

Release date:	2026-02-18
Definition date:	2025-09-23
Last modified:	2026-02-13
Release status:	REL
Processing site:	RCSB
Derived from:	13OH