1NS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O25	S02	doub	1.42Å	1.53Å
O24	S02	doub	1.42Å	1.38Å
N03	S02	sing	1.66Å	1.67Å
N03	C04	sing	1.46Å	1.39Å
S02	C01	sing	1.81Å	1.74Å
C04	C05	sing	1.53Å	1.53Å
C05	C06	sing	1.53Å	1.51Å
C06	C07	sing	1.53Å	1.47Å
C06	C23	sing	1.53Å	1.49Å
C07	C08	sing	1.53Å	1.49Å
C23	C22	sing	1.53Å	1.50Å
C08	N09	sing	1.47Å	1.46Å
C22	N09	sing	1.47Å	1.45Å
N09	C10	sing	1.38Å	1.46Å
O17	C15	doub	1.22Å	1.23Å
S18	C11	sing	1.76Å	1.67Å	Aromatic
S18	C14	sing	1.76Å	1.69Å	Aromatic
C10	C11	doub	1.41Å	1.41Å	Aromatic
C10	N21	sing	1.33Å	1.37Å	Aromatic
C11	C12	sing	1.40Å	1.42Å	Aromatic
C15	C14	sing	1.47Å	1.42Å
C15	N16	sing	1.35Å	1.44Å
C14	C13	doub	1.34Å	1.43Å	Aromatic
N21	C20	doub	1.32Å	1.37Å	Aromatic
C12	C13	sing	1.40Å	1.52Å	Aromatic
C12	N19	doub	1.35Å	1.37Å	Aromatic
C20	N19	sing	1.31Å	1.34Å	Aromatic
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
N03	H4	sing	0.97Å	1.00Å
C04	H5	sing	1.09Å	1.10Å
C04	H6	sing	1.09Å	1.10Å
C05	H7	sing	1.09Å	1.10Å
C05	H8	sing	1.09Å	1.10Å
C06	H9	sing	1.09Å	1.10Å
C07	H10	sing	1.09Å	1.10Å
C07	H11	sing	1.09Å	1.10Å
C08	H12	sing	1.09Å	1.10Å
C08	H13	sing	1.09Å	1.10Å
C13	H14	sing	1.08Å	1.08Å
N16	H15	sing	0.97Å	1.00Å
N16	H16	sing	0.97Å	1.00Å
C20	H17	sing	1.08Å	1.08Å
C22	H18	sing	1.09Å	1.10Å
C22	H19	sing	1.09Å	1.10Å
C23	H20	sing	1.09Å	1.10Å
C23	H21	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O25	S02	O24	99.0°	121.1°
O25	S02	N03	104.4°	104.3°
O25	S02	C01	109.7°	110.5°
O24	S02	N03	115.0°	104.3°
O24	S02	C01	114.1°	110.5°
S02	N03	C04	116.1°	120.0°
N03	S02	C01	113.0°	104.4°
S02	N03	H4	107.8°	120.0°
N03	C04	C05	112.5°	109.5°
C04	N03	H4	107.8°	120.0°
N03	C04	H5	108.7°	109.4°
N03	C04	H6	108.7°	109.5°
S02	C01	H1	109.5°	109.5°
S02	C01	H2	109.5°	109.5°
S02	C01	H3	109.5°	109.5°
C04	C05	C06	109.7°	109.5°
C05	C04	H5	108.7°	109.5°
C05	C04	H6	108.7°	109.5°
C04	C05	H7	109.4°	109.5°
C04	C05	H8	109.4°	109.4°
C05	C06	C07	107.7°	109.6°
C05	C06	C23	112.5°	109.5°
C06	C05	H7	109.4°	109.5°
C06	C05	H8	109.4°	109.5°
C05	C06	H9	106.4°	109.5°
C07	C06	C23	116.0°	109.2°
C06	C07	C08	108.0°	109.2°
C07	C06	H9	107.0°	109.5°
C06	C07	H10	109.8°	109.5°
C06	C07	H11	109.9°	109.4°
C06	C23	C22	111.3°	109.2°
C23	C06	H9	106.7°	109.5°
C06	C23	H20	109.0°	109.5°
C06	C23	H21	109.0°	109.5°
C07	C08	N09	109.8°	109.5°
C08	C07	H10	109.9°	109.6°
C08	C07	H11	109.8°	109.5°
C07	C08	H12	109.4°	109.4°
C07	C08	H13	109.4°	109.5°
C23	C22	N09	108.7°	109.5°
C23	C22	H18	109.6°	109.4°
C23	C22	H19	109.7°	109.4°
C22	C23	H20	109.0°	109.5°
C22	C23	H21	109.0°	109.5°
C08	N09	C22	117.3°	111.2°
C08	N09	C10	132.2°	111.0°
N09	C08	H12	109.4°	109.5°
N09	C08	H13	109.4°	109.5°
C22	N09	C10	109.9°	111.0°
N09	C22	H18	109.7°	109.5°
N09	C22	H19	109.7°	109.5°
N09	C10	C11	120.5°	120.5°
N09	C10	N21	119.9°	120.6°
O17	C15	C14	119.7°	120.0°
O17	C15	N16	121.1°	120.0°
C11	S18	C14	98.6°	91.5°
S18	C11	C10	132.8°	131.6°
S18	C11	C12	108.7°	109.7°
S18	C14	C15	123.6°	124.7°
S18	C14	C13	110.3°	110.6°
C11	C10	N21	119.5°	118.9°
C10	C11	C12	118.5°	118.8°
C10	N21	C20	121.0°	120.9°
C11	C12	C13	113.6°	112.7°
C11	C12	N19	118.3°	117.8°
C14	C15	N16	119.2°	120.0°
C15	C14	C13	126.2°	124.7°
C15	N16	H15	120.0°	120.0°
C15	N16	H16	120.0°	120.0°
C14	C13	C12	108.9°	115.5°
C14	C13	H14	125.6°	122.2°
N21	C20	N19	120.1°	122.6°
N21	C20	H17	120.0°	118.7°
C13	C12	N19	128.1°	129.6°
C12	C13	H14	125.5°	122.3°
C12	N19	C20	122.5°	121.2°
N19	C20	H17	120.0°	118.7°
H1	C01	H2	109.5°	109.5°
H1	C01	H3	109.5°	109.5°
H2	C01	H3	109.4°	109.5°
H5	C04	H6	109.4°	109.5°
H7	C05	H8	109.5°	109.4°
H10	C07	H11	109.5°	109.6°
H12	C08	H13	109.5°	109.5°
H15	N16	H16	120.0°	120.0°
H18	C22	H19	109.5°	109.5°
H20	C23	H21	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O25	S02	O24	N03	110.6°	116.8°
O25	S02	O24	C01	116.4°	131.5°
O25	S02	N03	C01	119.2°	116.1°
O25	S02	N03	C04	152.0°	178.9°
O25	S02	C01	H1	180.0°	51.6°
O25	S02	C01	H2	60.0°	68.4°
O25	S02	C01	H3	60.0°	171.6°
O25	S02	N03	H4	31.1°	1.0°
O24	S02	N03	C01	133.4°	116.0°
O24	S02	N03	C04	44.7°	51.0°
O24	S02	C01	H1	70.0°	171.6°
O24	S02	C01	H2	170.0°	68.4°
O24	S02	C01	H3	50.1°	51.6°
O24	S02	N03	H4	76.3°	128.9°
S02	N03	C04	H4	121.0°	179.9°
S02	N03	C04	C05	119.0°	165.0°
N03	S02	C01	H1	63.9°	60.0°
N03	S02	C01	H2	56.1°	180.0°
N03	S02	C01	H3	176.1°	60.0°
S02	N03	C04	H5	1.5°	75.1°
S02	N03	C04	H6	120.5°	44.9°
C04	N03	S02	C01	88.8°	65.1°
N03	C04	C05	H5	120.5°	119.9°
N03	C04	C05	H6	120.4°	120.0°
N03	C04	C05	C06	87.8°	179.9°
N03	C04	H5	H6	118.6°	120.0°
N03	C04	C05	H7	152.2°	60.0°
N03	C04	C05	H8	32.2°	59.9°
S02	C01	H1	H2	120.0°	120.0°
S02	C01	H1	H3	120.0°	120.0°
S02	C01	H2	H3	120.0°	120.0°
C01	S02	N03	H4	150.3°	115.1°
C04	C05	C06	H7	120.0°	120.0°
C04	C05	C06	H8	120.0°	120.0°
C04	C05	C06	C07	109.4°	175.0°
C04	C05	C06	C23	121.5°	65.3°
C05	C04	N03	H4	120.0°	14.9°
C05	C04	H5	H6	118.6°	120.0°
C04	C05	H7	H8	119.9°	120.0°
C04	C05	C06	H9	5.0°	54.9°
C05	C06	C07	C23	127.0°	120.0°
C05	C06	C07	H9	114.1°	120.1°
C05	C06	C23	H9	116.3°	120.1°
C05	C06	C07	C08	178.0°	62.2°
C05	C06	C23	C22	177.4°	62.3°
C06	C05	C04	H5	32.7°	60.0°
C06	C05	C04	H6	151.8°	60.0°
C06	C05	H7	H8	119.9°	120.0°
C05	C06	C07	H10	58.2°	177.8°
C05	C06	C07	H11	62.2°	57.7°
C05	C06	C23	H20	57.2°	57.6°
C05	C06	C23	H21	62.3°	177.8°
C07	C06	C23	H9	119.1°	119.9°
C06	C07	C08	H10	119.7°	120.0°
C06	C07	C08	H11	119.8°	119.8°
C07	C06	C23	C22	52.8°	57.7°
C06	C07	C08	N09	54.0°	59.2°
C07	C06	C05	H7	10.6°	55.0°
C07	C06	C05	H8	130.6°	65.0°
C06	C07	H10	H11	120.7°	120.0°
C06	C07	C08	H12	66.1°	179.2°
C06	C07	C08	H13	174.0°	60.8°
C07	C06	C23	H20	67.4°	177.6°
C07	C06	C23	H21	173.1°	62.2°
C23	C06	C07	C08	55.0°	57.7°
C06	C23	C22	H20	120.2°	120.0°
C06	C23	C22	H21	120.3°	119.9°
C06	C23	C22	N09	47.8°	59.2°
C23	C06	C05	H7	118.4°	174.7°
C23	C06	C05	H8	1.5°	54.7°
C23	C06	C07	H10	174.7°	62.3°
C23	C06	C07	H11	64.8°	177.6°
C06	C23	C22	H18	167.7°	179.2°
C06	C23	C22	H19	72.1°	60.8°
C06	C23	H20	H21	119.2°	120.2°
C07	C08	N09	H12	120.1°	119.9°
C07	C08	N09	H13	120.0°	120.0°
C07	C08	N09	C22	58.2°	61.8°
C07	C08	N09	C10	112.9°	174.1°
C08	C07	C06	H9	63.9°	177.6°
C08	C07	H10	H11	120.7°	120.2°
C07	C08	H12	H13	119.8°	119.9°
C23	C22	N09	C08	53.8°	61.8°
C23	C22	N09	H18	119.9°	120.0°
C23	C22	N09	H19	119.9°	120.0°
C23	C22	N09	C10	119.2°	174.2°
C22	C23	C06	H9	66.2°	177.6°
C23	C22	H18	H19	120.3°	120.0°
C22	C23	H20	H21	119.2°	120.1°
C08	N09	C22	C10	173.0°	124.1°
C08	N09	C10	C11	19.3°	180.0°
C08	N09	C10	N21	157.4°	0.3°
N09	C08	C07	H10	173.7°	60.7°
N09	C08	C07	H11	65.8°	179.1°
N09	C08	H12	H13	119.8°	120.1°
C08	N09	C22	H18	173.7°	178.2°
C08	N09	C22	H19	66.1°	58.2°
C22	N09	C10	C11	152.3°	55.8°
C22	N09	C10	N21	31.0°	124.5°
C22	N09	C08	H12	61.9°	178.3°
C22	N09	C08	H13	178.2°	58.2°
N09	C22	H18	H19	120.4°	120.0°
N09	C22	C23	H20	72.4°	179.1°
N09	C22	C23	H21	168.1°	60.7°
N09	C10	C11	S18	3.4°	0.0°
N09	C10	C11	N21	176.7°	179.7°
N09	C10	C11	C12	179.0°	180.0°
N09	C10	N21	C20	179.2°	179.8°
C10	N09	C08	H12	127.0°	54.2°
C10	N09	C08	H13	7.2°	65.8°
C10	N09	C22	H18	0.7°	54.2°
C10	N09	C22	H19	120.9°	65.8°
O17	C15	C14	S18	13.8°	180.0°
O17	C15	C14	N16	178.0°	180.0°
O17	C15	C14	C13	166.2°	0.0°
O17	C15	N16	H15	0.0°	180.0°
O17	C15	N16	H16	180.0°	0.0°
S18	C11	C10	C12	177.6°	180.0°
S18	C11	C10	N21	179.9°	179.7°
C11	S18	C14	C15	178.9°	180.0°
C11	S18	C14	C13	1.1°	0.0°
S18	C11	C12	C13	1.7°	0.0°
S18	C11	C12	N19	179.5°	180.0°
C14	S18	C11	C10	179.4°	180.0°
C14	S18	C11	C12	1.6°	0.0°
S18	C14	C15	C13	180.0°	180.0°
S18	C14	C15	N16	164.1°	0.0°
S18	C14	C13	C12	0.2°	0.0°
S18	C14	C13	H14	179.8°	180.0°
C11	C10	N21	C20	2.5°	0.5°
C10	C11	C12	C13	179.9°	180.0°
C10	C11	C12	N19	1.4°	0.0°
N21	C10	C11	C12	2.3°	0.3°
C10	N21	C20	N19	1.7°	0.5°
C10	N21	C20	H17	178.2°	179.7°
C11	C12	C13	C14	1.0°	0.0°
C11	C12	C13	N19	178.6°	179.9°
C11	C12	N19	C20	0.7°	0.0°
C11	C12	C13	H14	179.0°	180.0°
C15	C14	C13	C12	179.8°	180.0°
C15	C14	C13	H14	0.2°	0.0°
C14	C15	N16	H15	178.0°	0.0°
C14	C15	N16	H16	2.1°	180.0°
N16	C15	C14	C13	15.9°	180.0°
C15	N16	H15	H16	180.0°	180.0°
C14	C13	C12	H14	180.0°	180.0°
C14	C13	C12	N19	179.6°	180.0°
N21	C20	N19	C12	0.8°	0.2°
N21	C20	N19	H17	180.0°	179.8°
C13	C12	N19	C20	179.2°	179.9°
N19	C12	C13	H14	0.5°	0.1°
C12	N19	C20	H17	179.2°	180.0°
H1	C01	H2	H3	120.0°	120.0°
H4	N03	C04	H5	119.5°	105.1°
H4	N03	C04	H6	0.4°	135.0°
H5	C04	C05	H7	87.3°	179.9°
H5	C04	C05	H8	152.7°	60.0°
H6	C04	C05	H7	31.8°	60.0°
H6	C04	C05	H8	88.2°	180.0°
H7	C05	C06	H9	125.0°	65.2°
H8	C05	C06	H9	115.0°	174.8°
H9	C06	C07	H10	55.8°	57.6°
H9	C06	C07	H11	176.3°	62.5°
H9	C06	C23	H20	173.5°	62.5°
H9	C06	C23	H21	54.0°	57.7°
H10	C07	C08	H12	53.6°	59.3°
H10	C07	C08	H13	66.3°	179.2°
H11	C07	C08	H12	174.1°	60.9°
H11	C07	C08	H13	54.2°	59.0°
H18	C22	C23	H20	47.5°	60.9°
H18	C22	C23	H21	72.0°	59.3°
H19	C22	C23	H20	167.7°	59.1°
H19	C22	C23	H21	48.2°	179.3°

Release date:	2013-04-24
Definition date:	2013-04-05
Last modified:	2013-04-19
Release status:	REL
Processing site:	RCSB
Derived from:	4JT9