Q9V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O22	C20	doub	1.21Å	1.21Å
C20	N19	sing	1.35Å	1.42Å
C20	C21	sing	1.51Å	1.54Å
N19	C18	sing	1.39Å	1.42Å
S23	C18	sing	1.77Å	1.74Å	Aromatic
S23	C15	sing	1.76Å	1.74Å	Aromatic
C18	N17	doub	1.30Å	1.34Å	Aromatic
C09	C10	sing	1.53Å	1.51Å
C09	N08	sing	1.47Å	1.45Å
C15	O14	sing	1.36Å	1.42Å
C15	N16	doub	1.30Å	1.34Å	Aromatic
N17	N16	sing	1.26Å	1.34Å	Aromatic
C10	C11	sing	1.53Å	1.46Å
O14	C11	sing	1.43Å	1.42Å
C11	C12	sing	1.53Å	1.47Å
N08	C13	sing	1.47Å	1.46Å
N08	C07	sing	1.39Å	1.42Å
S24	C07	sing	1.76Å	1.71Å	Aromatic
S24	C04	sing	1.76Å	1.71Å	Aromatic
C13	C12	sing	1.53Å	1.53Å
C07	N06	doub	1.30Å	1.34Å	Aromatic
O25	C02	doub	1.21Å	1.23Å
C02	C01	sing	1.51Å	1.53Å
C02	N03	sing	1.35Å	1.43Å
C04	N03	sing	1.39Å	1.44Å
C04	N05	doub	1.30Å	1.35Å	Aromatic
N06	N05	sing	1.38Å	1.36Å	Aromatic
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
C13	H4	sing	1.09Å	1.10Å
C21	H5	sing	1.09Å	1.10Å
C21	H6	sing	1.09Å	1.10Å
C21	H7	sing	1.09Å	1.10Å
C01	H8	sing	1.09Å	1.10Å
C01	H9	sing	1.09Å	1.10Å
C01	H10	sing	1.09Å	1.10Å
C09	H11	sing	1.09Å	1.10Å
C09	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
N03	H16	sing	0.97Å	1.00Å
N19	H17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O22	C20	N19	119.2°	120.0°
O22	C20	C21	120.5°	120.1°
N19	C20	C21	120.3°	120.0°
C20	N19	C18	115.9°	120.0°
C20	N19	H17	122.0°	120.1°
C20	C21	H5	109.5°	109.5°
C20	C21	H6	109.5°	109.5°
C20	C21	H7	109.5°	109.5°
N19	C18	S23	130.7°	126.1°
N19	C18	N17	122.1°	126.1°
C18	N19	H17	122.1°	120.0°
C18	S23	C15	93.8°	88.9°
S23	C18	N17	107.2°	107.8°
S23	C15	O14	130.2°	126.1°
S23	C15	N16	105.8°	107.8°
C18	N17	N16	115.4°	117.8°
C10	C09	N08	110.8°	109.5°
C09	C10	C11	101.5°	109.3°
C09	C10	H1	111.4°	109.5°
C09	C10	H2	111.5°	109.5°
C10	C09	H11	109.1°	109.5°
C10	C09	H12	109.1°	109.4°
C09	N08	C13	113.6°	111.3°
C09	N08	C07	112.8°	111.0°
N08	C09	H11	109.1°	109.5°
N08	C09	H12	109.1°	109.5°
O14	C15	N16	124.0°	126.1°
C15	O14	C11	113.0°	117.0°
C15	N16	N17	117.8°	117.8°
C10	C11	O14	114.4°	109.5°
C10	C11	C12	104.3°	109.1°
C11	C10	H1	111.5°	109.5°
C11	C10	H2	111.4°	109.5°
C10	C11	H13	108.6°	109.6°
O14	C11	C12	111.5°	109.5°
O14	C11	H13	109.2°	109.6°
C11	C12	C13	108.3°	109.2°
C12	C11	H13	108.6°	109.4°
C11	C12	H14	109.8°	109.5°
C11	C12	H15	109.8°	109.5°
C13	N08	C07	121.3°	111.0°
N08	C13	C12	113.9°	109.5°
N08	C13	H3	108.4°	109.5°
N08	C13	H4	108.4°	109.5°
N08	C07	S24	122.6°	125.5°
N08	C07	N06	131.7°	125.3°
C07	S24	C04	96.9°	90.4°
S24	C07	N06	105.6°	109.2°
S24	C04	N03	124.2°	125.4°
S24	C04	N05	104.7°	109.2°
C12	C13	H3	108.3°	109.5°
C12	C13	H4	108.3°	109.4°
C13	C12	H14	109.8°	109.5°
C13	C12	H15	109.8°	109.5°
C07	N06	N05	116.2°	115.5°
O25	C02	C01	121.3°	120.0°
O25	C02	N03	120.6°	120.0°
C01	C02	N03	118.1°	120.0°
C02	C01	H8	109.5°	109.5°
C02	C01	H9	109.5°	109.5°
C02	C01	H10	109.5°	109.5°
C02	N03	C04	121.2°	120.0°
C02	N03	H16	119.4°	120.0°
N03	C04	N05	131.1°	125.4°
C04	N03	H16	119.4°	120.0°
C04	N05	N06	116.5°	115.7°
H1	C10	H2	109.4°	109.4°
H3	C13	H4	109.5°	109.5°
H5	C21	H6	109.4°	109.5°
H5	C21	H7	109.5°	109.5°
H6	C21	H7	109.4°	109.4°
H8	C01	H9	109.5°	109.4°
H8	C01	H10	109.5°	109.5°
H9	C01	H10	109.5°	109.5°
H11	C09	H12	109.4°	109.5°
H14	C12	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O22	C20	N19	C21	178.4°	180.0°
O22	C20	N19	C18	179.4°	0.0°
O22	C20	C21	H5	0.0°	90.0°
O22	C20	C21	H6	120.0°	30.0°
O22	C20	C21	H7	120.0°	150.0°
O22	C20	N19	H17	0.6°	180.0°
C20	N19	C18	H17	180.0°	180.0°
C20	N19	C18	S23	98.0°	179.7°
C20	N19	C18	N17	79.9°	0.0°
N19	C20	C21	H5	178.3°	90.0°
N19	C20	C21	H6	58.3°	150.0°
N19	C20	C21	H7	61.6°	30.0°
C21	C20	N19	C18	2.3°	180.0°
C20	C21	H5	H6	120.0°	120.0°
C20	C21	H5	H7	120.0°	120.0°
C20	C21	H6	H7	120.0°	120.0°
C21	C20	N19	H17	177.7°	0.0°
N19	C18	S23	N17	178.1°	179.8°
N19	C18	S23	C15	179.3°	179.9°
N19	C18	N17	N16	179.1°	180.0°
C18	S23	C15	O14	179.9°	180.0°
C18	S23	C15	N16	1.2°	0.4°
S23	C18	N17	N16	0.8°	0.2°
S23	C18	N19	H17	82.0°	0.3°
C15	S23	C18	N17	1.1°	0.3°
S23	C15	O14	N16	178.5°	179.6°
S23	C15	N16	N17	1.0°	0.3°
S23	C15	O14	C11	83.8°	179.7°
C18	N17	N16	C15	0.2°	0.1°
N17	C18	N19	H17	100.1°	180.0°
C10	C09	N08	H11	120.2°	120.0°
C10	C09	N08	H12	120.2°	120.0°
C09	C10	C11	H1	118.7°	120.0°
C09	C10	C11	H2	118.7°	120.0°
C09	C10	C11	O14	159.8°	62.2°
C09	C10	C11	C12	78.1°	57.7°
C10	C09	N08	C13	49.0°	61.7°
C10	C09	N08	C07	94.1°	174.2°
C09	C10	H1	H2	123.7°	120.1°
C10	C09	H11	H12	119.3°	120.0°
C09	C10	C11	H13	37.5°	177.5°
N08	C09	C10	C11	68.6°	59.2°
C09	N08	C13	C07	139.6°	124.1°
C09	N08	C07	S24	50.8°	179.8°
C09	N08	C13	C12	37.8°	61.8°
C09	N08	C07	N06	127.8°	0.0°
N08	C09	C10	H1	50.2°	179.1°
N08	C09	C10	H2	172.7°	60.9°
C09	N08	C13	H3	82.9°	58.2°
C09	N08	C13	H4	158.4°	178.3°
N08	C09	H11	H12	119.4°	120.0°
O14	C15	N16	N17	179.8°	180.0°
C15	O14	C11	C10	13.6°	150.0°
C15	O14	C11	C12	131.7°	90.3°
C15	O14	C11	H13	108.4°	29.8°
N16	C15	O14	C11	97.7°	0.1°
C10	C11	O14	C12	118.1°	119.7°
C10	C11	O14	H13	122.0°	120.2°
C10	C11	C12	H13	115.7°	119.9°
C10	C11	C12	C13	68.7°	57.7°
C11	C10	H1	H2	123.7°	120.1°
C11	C10	C09	H11	51.7°	179.2°
C11	C10	C09	H12	171.2°	60.8°
C10	C11	C12	H14	51.2°	62.3°
C10	C11	C12	H15	171.5°	177.6°
O14	C11	C12	H13	120.3°	120.2°
O14	C11	C12	C13	167.3°	62.2°
O14	C11	C10	H1	81.5°	57.7°
O14	C11	C10	H2	41.1°	177.8°
O14	C11	C12	H14	72.8°	177.8°
O14	C11	C12	H15	47.5°	57.7°
C11	C12	C13	N08	47.4°	59.2°
C11	C12	C13	H14	119.8°	120.0°
C11	C12	C13	H15	119.8°	119.9°
C12	C11	C10	H1	40.6°	177.7°
C12	C11	C10	H2	163.1°	62.3°
C11	C12	C13	H3	73.3°	60.8°
C11	C12	C13	H4	168.0°	179.2°
C11	C12	H14	H15	120.6°	120.1°
C13	N08	C07	S24	169.3°	56.0°
N08	C13	C12	H3	120.7°	120.0°
N08	C13	C12	H4	120.7°	120.0°
C13	N08	C07	N06	12.1°	124.2°
N08	C13	H3	H4	118.0°	120.0°
C13	N08	C09	H11	71.2°	178.2°
C13	N08	C09	H12	169.2°	58.2°
N08	C13	C12	H14	72.5°	60.8°
N08	C13	C12	H15	167.2°	179.1°
N08	C07	S24	N06	179.0°	179.8°
N08	C07	S24	C04	178.6°	179.9°
C07	N08	C13	C12	101.9°	174.1°
N08	C07	N06	N05	179.0°	180.0°
C07	N08	C13	H3	137.5°	65.9°
C07	N08	C13	H4	18.8°	54.1°
C07	N08	C09	H11	145.7°	54.1°
C07	N08	C09	H12	26.2°	65.9°
C07	S24	C04	N03	179.4°	180.0°
C07	S24	C04	N05	0.7°	0.3°
S24	C07	N06	N05	0.1°	0.2°
C04	S24	C07	N06	0.3°	0.3°
S24	C04	N03	C02	81.2°	179.7°
S24	C04	N03	N05	179.8°	179.7°
S24	C04	N05	N06	0.9°	0.2°
S24	C04	N03	H16	98.8°	0.3°
C12	C13	H3	H4	117.9°	119.9°
C13	C12	C11	H13	47.0°	177.6°
C13	C12	H14	H15	120.5°	120.1°
C07	N06	N05	C04	0.8°	0.0°
O25	C02	C01	N03	179.5°	180.0°
O25	C02	N03	C04	1.1°	0.0°
O25	C02	C01	H8	0.0°	120.0°
O25	C02	C01	H9	120.0°	0.0°
O25	C02	C01	H10	120.0°	120.0°
O25	C02	N03	H16	178.8°	180.0°
C01	C02	N03	C04	179.4°	180.0°
C02	C01	H8	H9	120.0°	120.0°
C02	C01	H8	H10	120.0°	120.0°
C02	C01	H9	H10	120.0°	120.0°
C01	C02	N03	H16	0.7°	0.0°
C02	N03	C04	H16	180.0°	180.0°
C02	N03	C04	N05	98.6°	0.0°
N03	C02	C01	H8	179.5°	60.0°
N03	C02	C01	H9	60.5°	180.0°
N03	C02	C01	H10	59.5°	60.0°
N03	C04	N05	N06	179.2°	180.0°
N05	C04	N03	H16	81.4°	180.0°
H1	C10	C09	H11	170.4°	60.8°
H1	C10	C09	H12	70.1°	59.2°
H1	C10	C11	H13	156.3°	62.5°
H2	C10	C09	H11	67.0°	59.2°
H2	C10	C09	H12	52.5°	179.2°
H2	C10	C11	H13	81.2°	57.5°
H3	C13	C12	H14	166.9°	179.2°
H3	C13	C12	H15	46.5°	59.1°
H4	C13	C12	H14	48.2°	59.2°
H4	C13	C12	H15	72.1°	60.9°
H5	C21	H6	H7	120.0°	120.0°
H8	C01	H9	H10	120.0°	120.0°
H13	C11	C12	H14	166.9°	57.6°
H13	C11	C12	H15	72.8°	62.5°

Release date:	2020-10-07
Definition date:	2019-10-08
Last modified:	2020-10-02
Release status:	REL
Processing site:	RCSB
Derived from:	6UKB