D5A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O9	RH3	sing	0.00Å	2.03Å
RH3	O12	sing	0.00Å	2.11Å
RH3	O14	sing	0.00Å	2.08Å
RH3	O10	sing	0.00Å	2.08Å
O12	C1	doub	0.00Å	1.23Å
O15	RH4	sing	0.00Å	2.06Å
RH4	O13	sing	0.00Å	1.88Å
RH4	O11	sing	0.00Å	2.11Å
RH4	N1	sing	0.00Å	2.01Å
O11	C1	sing	0.00Å	1.23Å
C1	C2	sing	0.00Å	1.54Å
N1	C3	sing	0.00Å	1.31Å	Aromatic
N1	C5	sing	0.00Å	1.33Å	Aromatic
N2	C3	doub	0.00Å	1.35Å	Aromatic
N2	C4	sing	0.00Å	1.34Å	Aromatic
C4	C5	doub	0.00Å	1.35Å	Aromatic
C2	H5	sing	0.00Å	1.10Å
C2	H6	sing	0.00Å	1.10Å
C2	H7	sing	0.00Å	1.10Å
C3	H8	sing	0.00Å	1.08Å
C4	H9	sing	0.00Å	1.08Å
C5	H10	sing	0.00Å	1.08Å
RH3	RH4	sing	0.00Å	2.54Å
H1	O13	sing	0.00Å	0.95Å
H2	O15	sing	0.00Å	0.95Å
H3	O9	sing	0.00Å	0.95Å
H11	O10	sing	0.00Å	0.95Å
H12	O14	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O9	RH3	O12	85.8°	90.0°
O9	RH3	O14	94.7°	90.0°
O9	RH3	O10	176.7°	90.0°
O9	RH3	RH4	92.7°	90.0°
RH3	O9	H3	109.5°	90.0°
O12	RH3	O14	178.2°	90.0°
O12	RH3	O10	92.7°	90.0°
RH3	O12	C1	129.9°	90.0°
O12	RH3	RH4	80.2°	90.0°
O14	RH3	O10	86.7°	90.0°
O14	RH3	RH4	98.0°	90.0°
RH3	O14	H12	109.5°	90.0°
O10	RH3	RH4	84.1°	90.0°
RH3	O10	H11	109.5°	90.0°
O12	C1	O11	121.1°	90.0°
O12	C1	C2	120.4°	90.0°
O15	RH4	O13	173.9°	90.0°
O15	RH4	O11	85.4°	90.0°
O15	RH4	N1	108.1°	90.0°
O15	RH4	RH3	82.7°	90.0°
RH4	O15	H2	109.5°	90.0°
O13	RH4	O11	98.7°	90.0°
O13	RH4	N1	67.3°	90.0°
O13	RH4	RH3	101.8°	90.0°
RH4	O13	H1	109.5°	90.0°
O11	RH4	N1	165.0°	90.0°
RH4	O11	C1	120.0°	90.0°
O11	RH4	RH3	88.7°	90.0°
RH4	N1	C3	138.4°	90.0°
RH4	N1	C5	110.2°	90.0°
N1	RH4	RH3	99.1°	90.0°
O11	C1	C2	118.4°	90.0°
C1	C2	H5	109.5°	90.0°
C1	C2	H6	109.5°	90.0°
C1	C2	H7	109.4°	90.0°
C3	N1	C5	111.4°	90.0°
N1	C3	N2	107.0°	90.0°
N1	C3	H8	126.5°	90.0°
N1	C5	C4	105.1°	90.0°
N1	C5	H10	127.4°	90.0°
C3	N2	C4	107.3°	90.0°
N2	C3	H8	126.5°	90.0°
N2	C4	C5	109.2°	90.0°
N2	C4	H9	125.4°	90.0°
C5	C4	H9	125.4°	90.0°
C4	C5	H10	127.4°	90.0°
H5	C2	H6	109.4°	90.0°
H5	C2	H7	109.5°	90.0°
H6	C2	H7	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O9	RH3	O12	O14	106.5°	90.0°
O9	RH3	O12	O10	177.0°	90.0°
O9	RH3	O12	RH4	93.5°	90.0°
O9	RH3	O14	O10	177.0°	90.0°
O9	RH3	O14	RH4	93.4°	90.0°
O9	RH3	O10	RH4	16.5°	90.0°
O9	RH3	O12	C1	93.5°	90.0°
O9	RH3	RH4	O15	0.3°	90.0°
O9	RH3	RH4	O13	175.5°	90.0°
O9	RH3	RH4	O11	85.9°	90.0°
O9	RH3	RH4	N1	107.0°	90.0°
O9	RH3	O10	H11	180.0°	90.0°
O9	RH3	O14	H12	180.0°	90.0°
O12	RH3	O14	O10	70.6°	90.0°
O12	RH3	O14	RH4	12.9°	90.0°
O12	RH3	O10	RH4	79.9°	90.0°
O12	RH3	RH4	O15	85.0°	90.0°
O12	RH3	RH4	O13	99.2°	90.0°
O12	RH3	RH4	O11	0.6°	90.0°
O12	RH3	RH4	N1	167.7°	90.0°
RH3	O12	C1	O11	1.0°	90.0°
RH3	O12	C1	C2	179.7°	90.0°
O12	RH3	O9	H3	180.0°	90.0°
O12	RH3	O10	H11	116.7°	90.0°
O12	RH3	O14	H12	73.6°	90.0°
O14	RH3	O10	RH4	98.4°	90.0°
O14	RH3	O12	C1	12.9°	90.0°
O14	RH3	RH4	O15	95.4°	90.0°
O14	RH3	RH4	O13	80.4°	90.0°
O14	RH3	RH4	O11	179.0°	90.0°
O14	RH3	RH4	N1	11.8°	90.0°
O14	RH3	O9	H3	1.8°	90.0°
O14	RH3	O10	H11	65.0°	90.0°
O10	RH3	O12	C1	83.5°	90.0°
O10	RH3	RH4	O15	178.7°	90.0°
O10	RH3	RH4	O13	5.4°	90.0°
O10	RH3	RH4	O11	93.2°	90.0°
O10	RH3	RH4	N1	74.0°	90.0°
O10	RH3	O9	H3	116.5°	90.0°
O10	RH3	O14	H12	3.0°	90.0°
O12	C1	O11	RH4	1.6°	90.0°
O12	C1	O11	C2	178.7°	90.0°
O12	C1	C2	H5	0.0°	90.0°
O12	C1	C2	H6	120.0°	90.0°
O12	C1	C2	H7	120.0°	90.0°
C1	O12	RH3	RH4	0.1°	90.0°
O15	RH4	O13	O11	132.2°	90.0°
O15	RH4	O13	N1	42.3°	90.0°
O15	RH4	O13	RH3	137.3°	90.0°
O15	RH4	O11	N1	155.3°	90.0°
O15	RH4	O11	RH3	82.8°	90.0°
O15	RH4	N1	RH3	85.2°	90.0°
O15	RH4	O11	C1	81.4°	90.0°
O15	RH4	N1	C3	178.3°	90.0°
O15	RH4	N1	C5	4.5°	90.0°
O15	RH4	O13	H1	180.0°	90.0°
O13	RH4	O11	N1	20.1°	90.0°
O13	RH4	O11	RH3	101.8°	90.0°
O13	RH4	N1	RH3	99.1°	90.0°
O13	RH4	O11	C1	103.1°	90.0°
O13	RH4	N1	C3	2.7°	90.0°
O13	RH4	N1	C5	179.8°	90.0°
O13	RH4	O15	H2	180.0°	90.0°
O11	RH4	N1	RH3	120.8°	90.0°
RH4	O11	C1	C2	179.6°	90.0°
O11	RH4	N1	C3	24.3°	90.0°
O11	RH4	N1	C5	158.5°	90.0°
O11	RH4	O13	H1	47.8°	90.0°
O11	RH4	O15	H2	47.3°	90.0°
N1	RH4	O11	C1	123.3°	90.0°
RH4	N1	C3	C5	177.1°	90.0°
RH4	N1	C3	N2	176.9°	90.0°
RH4	N1	C5	C4	177.6°	90.0°
RH4	N1	C3	H8	3.1°	90.0°
RH4	N1	C5	H10	2.4°	90.0°
N1	RH4	O13	H1	137.7°	90.0°
N1	RH4	O15	H2	139.2°	90.0°
O11	C1	C2	H5	178.7°	90.0°
O11	C1	C2	H6	58.8°	90.0°
O11	C1	C2	H7	61.3°	90.0°
C1	O11	RH4	RH3	1.3°	90.0°
C1	C2	H5	H6	120.0°	90.0°
C1	C2	H5	H7	120.0°	90.0°
C1	C2	H6	H7	120.0°	90.0°
N1	C3	N2	H8	180.0°	90.0°
N1	C3	N2	C4	0.0°	90.0°
C3	N1	C5	C4	0.4°	90.0°
C3	N1	C5	H10	179.6°	90.0°
C3	N1	RH4	RH3	96.5°	90.0°
C5	N1	C3	N2	0.3°	90.0°
N1	C5	C4	N2	0.3°	90.0°
N1	C5	C4	H10	180.0°	90.0°
C5	N1	C3	H8	179.7°	90.0°
N1	C5	C4	H9	179.7°	90.0°
C5	N1	RH4	RH3	80.7°	90.0°
C3	N2	C4	C5	0.2°	90.0°
C3	N2	C4	H9	179.8°	90.0°
N2	C4	C5	H9	180.0°	90.0°
C4	N2	C3	H8	180.0°	90.0°
N2	C4	C5	H10	179.7°	90.0°
H5	C2	H6	H7	120.0°	90.0°
H9	C4	C5	H10	0.3°	90.0°
RH3	RH4	O13	H1	42.7°	90.0°
RH3	RH4	O15	H2	42.0°	90.0°
RH4	RH3	O9	H3	100.0°	90.0°
RH4	RH3	O10	H11	163.5°	90.0°
RH4	RH3	O14	H12	86.6°	90.0°

Release date:	2022-06-08
Definition date:	2021-12-14
Last modified:	2022-08-22
Release status:	REL
Processing site:	PDBE
Derived from:	7QHR