AVR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	doub	1.22Å	1.23Å
C	C3	sing	1.41Å	1.53Å
C	CA	sing	1.51Å	1.53Å
N	CA	sing	1.47Å	1.47Å
N1	C2	doub	1.31Å	1.33Å	Aromatic
N1	N5	sing	1.40Å	1.23Å	Aromatic
C2	C3	sing	1.41Å	1.39Å	Aromatic
C2	C10	sing	1.51Å	1.53Å
C3	C4	doub	1.41Å	1.39Å	Aromatic
C4	N5	sing	1.36Å	1.40Å	Aromatic
C4	C9	sing	1.40Å	1.39Å	Aromatic
N5	C6	sing	1.36Å	1.40Å	Aromatic
C6	C7	doub	1.35Å	1.39Å	Aromatic
C7	C8	sing	1.40Å	1.39Å	Aromatic
C8	C9	doub	1.37Å	1.39Å	Aromatic
CA	CB	sing	1.53Å	1.53Å
C10	C11	sing	1.53Å	1.53Å
C10	C12	sing	1.53Å	1.53Å
N	HN	sing	1.01Å	1.00Å
N	HNA	sing	1.01Å	1.00Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
CA	HA	sing	1.09Å	1.10Å
CB	HB	sing	1.09Å	1.10Å
CB	HBA	sing	1.09Å	1.10Å
CB	HBB	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C11	H11B	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
C12	H12B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C3	120.7°	119.9°
O	C	CA	120.4°	120.0°
C3	C	CA	118.8°	120.0°
C	C3	C2	127.1°	126.7°
C	C3	C4	126.9°	126.6°
C	CA	N	107.4°	109.5°
C	CA	CB	107.1°	109.5°
C	CA	HA	112.8°	109.4°
N	CA	CB	110.9°	109.5°
CA	N	HN	109.5°	111.0°
CA	N	HNA	109.5°	111.0°
N	CA	HA	109.1°	109.4°
C2	N1	N5	111.8°	109.7°
N1	C2	C3	107.2°	108.7°
N1	C2	C10	127.3°	125.6°
N1	N5	C4	110.2°	108.0°
N1	N5	C6	130.8°	131.9°
C3	C2	C10	125.5°	125.7°
C2	C3	C4	106.0°	106.7°
C2	C10	C11	109.9°	109.4°
C2	C10	C12	111.0°	109.5°
C2	C10	H10	108.4°	109.4°
C3	C4	N5	104.8°	106.8°
C3	C4	C9	134.0°	132.8°
N5	C4	C9	121.2°	120.3°
C4	N5	C6	118.9°	120.0°
C4	C9	C8	119.2°	119.3°
C4	C9	H9	120.4°	120.4°
N5	C6	C7	119.7°	120.7°
N5	C6	H6	120.1°	119.6°
C6	C7	C8	120.8°	120.3°
C7	C6	H6	120.1°	119.6°
C6	C7	H7	119.6°	119.8°
C7	C8	C9	120.2°	119.4°
C8	C7	H7	119.6°	119.9°
C7	C8	H8	119.9°	120.3°
C9	C8	H8	119.9°	120.3°
C8	C9	H9	120.4°	120.4°
CB	CA	HA	109.5°	109.5°
CA	CB	HB	109.5°	109.5°
CA	CB	HBA	109.5°	109.5°
CA	CB	HBB	109.4°	109.5°
C11	C10	C12	110.2°	109.5°
C11	C10	H10	109.2°	109.5°
C10	C11	H11	109.5°	109.5°
C10	C11	H11A	109.4°	109.5°
C10	C11	H11B	109.5°	109.4°
C12	C10	H10	108.0°	109.5°
C10	C12	H12	109.5°	109.5°
C10	C12	H12A	109.5°	109.5°
C10	C12	H12B	109.4°	109.5°
HN	N	HNA	109.5°	111.0°
HB	CB	HBA	109.5°	109.5°
HB	CB	HBB	109.5°	109.5°
HBA	CB	HBB	109.5°	109.4°
H11	C11	H11A	109.4°	109.5°
H11	C11	H11B	109.5°	109.5°
H11A	C11	H11B	109.5°	109.4°
H12	C12	H12A	109.4°	109.4°
H12	C12	H12B	109.5°	109.5°
H12A	C12	H12B	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C3	CA	176.9°	179.7°
O	C	CA	N	54.6°	21.1°
O	C	C3	C2	121.6°	95.5°
O	C	C3	C4	59.1°	84.5°
O	C	CA	CB	64.6°	99.0°
O	C	CA	HA	174.9°	141.0°
C3	C	CA	N	122.4°	159.2°
C	C3	C2	N1	179.9°	180.0°
C	C3	C2	C4	179.4°	180.0°
C	C3	C2	C10	1.6°	0.0°
C	C3	C4	N5	180.0°	180.0°
C	C3	C4	C9	0.2°	0.0°
C3	C	CA	CB	118.5°	80.7°
C3	C	CA	HA	2.1°	39.3°
C	CA	N	CB	116.7°	120.0°
C	CA	N	HA	122.6°	119.9°
CA	C	C3	C2	55.3°	84.8°
CA	C	C3	C4	123.9°	95.2°
C	CA	CB	HA	122.6°	120.0°
C	CA	N	HN	180.0°	176.1°
C	CA	N	HNA	60.0°	60.0°
C	CA	CB	HB	180.0°	60.0°
C	CA	CB	HBA	60.0°	180.0°
C	CA	CB	HBB	60.0°	60.0°
N	CA	CB	HA	120.5°	120.0°
CA	N	HN	HNA	120.0°	123.9°
N	CA	CB	HB	63.1°	60.0°
N	CA	CB	HBA	176.9°	60.0°
N	CA	CB	HBB	56.9°	179.9°
N1	C2	C3	C10	178.3°	180.0°
N1	C2	C3	C4	0.6°	0.0°
C2	N1	N5	C4	0.2°	0.0°
C2	N1	N5	C6	180.0°	180.0°
N1	C2	C10	C11	82.0°	60.0°
N1	C2	C10	C12	40.2°	60.0°
N1	C2	C10	H10	158.7°	180.0°
N5	N1	C2	C3	0.2°	0.0°
N5	N1	C2	C10	178.1°	180.0°
N1	N5	C4	C3	0.5°	0.0°
N1	N5	C4	C6	179.9°	180.0°
N1	N5	C4	C9	179.4°	180.0°
N1	N5	C6	C7	179.3°	180.0°
N1	N5	C6	H6	0.7°	0.0°
C2	C3	C4	N5	0.6°	0.0°
C2	C3	C4	C9	179.2°	180.0°
C3	C2	C10	C11	96.0°	120.0°
C3	C2	C10	C12	141.8°	120.0°
C3	C2	C10	H10	23.3°	0.0°
C10	C2	C3	C4	177.8°	180.0°
C2	C10	C11	C12	122.6°	120.0°
C2	C10	C11	H10	118.8°	119.9°
C2	C10	C12	H10	118.8°	120.0°
C2	C10	C11	H11	180.0°	59.9°
C2	C10	C11	H11A	60.0°	60.1°
C2	C10	C11	H11B	60.0°	180.0°
C2	C10	C12	H12	180.0°	60.0°
C2	C10	C12	H12A	60.0°	180.0°
C2	C10	C12	H12B	60.0°	60.0°
C3	C4	N5	C9	179.9°	180.0°
C3	C4	N5	C6	179.6°	180.0°
C3	C4	C9	C8	179.9°	180.0°
C3	C4	C9	H9	0.1°	0.0°
C4	N5	C6	C7	0.6°	0.0°
N5	C4	C9	C8	0.1°	0.0°
C4	N5	C6	H6	179.4°	180.0°
N5	C4	C9	H9	179.9°	180.0°
C9	C4	N5	C6	0.5°	0.0°
C4	C9	C8	C7	0.4°	0.0°
C4	C9	C8	H9	180.0°	180.0°
C4	C9	C8	H8	179.6°	180.0°
N5	C6	C7	H6	180.0°	180.0°
N5	C6	C7	C8	0.2°	0.0°
N5	C6	C7	H7	179.8°	180.0°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C9	0.3°	0.0°
C6	C7	C8	H8	179.7°	180.0°
C7	C8	C9	H8	180.0°	180.0°
C8	C7	C6	H6	179.8°	180.0°
C7	C8	C9	H9	179.6°	180.0°
C9	C8	C7	H7	179.7°	180.0°
CB	CA	N	HN	63.3°	63.9°
CB	CA	N	HNA	56.7°	60.0°
CA	CB	HB	HBA	120.0°	120.0°
CA	CB	HB	HBB	120.0°	120.0°
CA	CB	HBA	HBB	120.0°	120.0°
C11	C10	C12	H10	119.2°	120.1°
C10	C11	H11	H11A	120.0°	120.0°
C10	C11	H11	H11B	120.0°	120.0°
C10	C11	H11A	H11B	120.0°	119.9°
C11	C10	C12	H12	58.0°	180.0°
C11	C10	C12	H12A	178.0°	60.0°
C11	C10	C12	H12B	62.0°	59.9°
C12	C10	C11	H11	57.3°	179.9°
C12	C10	C11	H11A	62.6°	59.9°
C12	C10	C11	H11B	177.4°	60.0°
C10	C12	H12	H12A	120.0°	120.0°
C10	C12	H12	H12B	120.0°	120.1°
C10	C12	H12A	H12B	120.0°	120.0°
HN	N	CA	HA	57.4°	56.1°
HNA	N	CA	HA	177.4°	180.0°
H6	C6	C7	H7	0.2°	0.0°
H7	C7	C8	H8	0.3°	0.0°
H8	C8	C9	H9	0.4°	0.0°
HA	CA	CB	HB	57.4°	180.0°
HA	CA	CB	HBA	62.6°	60.0°
HA	CA	CB	HBB	177.4°	59.9°
HB	CB	HBA	HBB	120.0°	120.0°
H10	C10	C11	H11	61.2°	60.0°
H10	C10	C11	H11A	178.8°	180.0°
H10	C10	C11	H11B	58.8°	60.1°
H10	C10	C12	H12	61.2°	59.9°
H10	C10	C12	H12A	58.8°	60.0°
H10	C10	C12	H12B	178.8°	180.0°
H11	C11	H11A	H11B	120.0°	120.0°
H12	C12	H12A	H12B	120.0°	119.9°

Definition date:	2009-09-11
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	3IJG