0K0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O28	S25	doub	1.42Å	1.45Å
C21	C19	sing	1.53Å	1.53Å
C21	N22	sing	1.47Å	1.48Å
C19	C17	sing	1.53Å	1.53Å
O26	S25	doub	1.42Å	1.44Å
S25	N24	sing	1.66Å	1.64Å
S25	C27	sing	1.81Å	1.80Å
C16	C17	sing	1.53Å	1.53Å
C16	N15	sing	1.46Å	1.47Å
C17	C18	sing	1.53Å	1.54Å
N24	C4	sing	1.40Å	1.42Å
N22	C20	sing	1.47Å	1.48Å
N15	C13	sing	1.35Å	1.37Å
C4	C2	doub	1.39Å	1.39Å	Aromatic
C4	C6	sing	1.39Å	1.39Å	Aromatic
C18	C20	sing	1.53Å	1.54Å
C2	C1	sing	1.39Å	1.39Å	Aromatic
C13	O14	doub	1.22Å	1.21Å
C13	C11	sing	1.48Å	1.47Å
C6	C5	doub	1.38Å	1.38Å	Aromatic
N9	C11	doub	1.33Å	1.38Å	Aromatic
N9	C7	sing	1.33Å	1.37Å	Aromatic
C11	C12	sing	1.41Å	1.38Å	Aromatic
C1	C7	sing	1.48Å	1.45Å
C1	C3	doub	1.39Å	1.39Å	Aromatic
C5	C3	sing	1.38Å	1.38Å	Aromatic
C7	C8	doub	1.40Å	1.38Å	Aromatic
C12	N23	sing	1.38Å	1.39Å
C12	N10	doub	1.33Å	1.39Å	Aromatic
C8	N10	sing	1.32Å	1.37Å	Aromatic
C2	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C16	H6	sing	1.09Å	1.10Å
C16	H7	sing	1.09Å	1.10Å
C17	H8	sing	1.09Å	1.10Å
C18	H9	sing	1.09Å	1.10Å
C18	H10	sing	1.09Å	1.10Å
C19	H11	sing	1.09Å	1.10Å
C19	H12	sing	1.09Å	1.10Å
C21	H13	sing	1.09Å	1.10Å
C21	H14	sing	1.09Å	1.10Å
N22	H15	sing	1.01Å	1.00Å
C27	H17	sing	1.09Å	1.10Å
C27	H18	sing	1.09Å	1.10Å
C27	H19	sing	1.09Å	1.10Å
N24	H20	sing	0.97Å	1.00Å
N23	H21	sing	0.97Å	1.00Å
N23	H22	sing	0.97Å	1.00Å
N15	H23	sing	0.97Å	1.00Å
C20	H24	sing	1.09Å	1.10Å
C20	H25	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O28	S25	O26	109.3°	121.0°
O28	S25	N24	110.2°	104.3°
O28	S25	C27	108.9°	110.6°
C19	C21	N22	110.8°	109.5°
C21	C19	C17	107.1°	109.3°
C21	C19	H11	110.1°	109.5°
C21	C19	H12	110.1°	109.5°
C19	C21	H13	109.2°	109.4°
C19	C21	H14	109.1°	109.5°
C21	N22	C20	117.9°	111.1°
N22	C21	H13	109.1°	109.4°
N22	C21	H14	109.1°	109.5°
C21	N22	H15	107.3°	111.0°
C19	C17	C16	111.2°	109.5°
C19	C17	C18	108.7°	109.1°
C19	C17	H8	108.7°	109.5°
C17	C19	H11	110.1°	109.5°
C17	C19	H12	110.1°	109.5°
O26	S25	N24	111.5°	104.3°
O26	S25	C27	111.3°	110.5°
N24	S25	C27	105.5°	104.4°
S25	N24	C4	125.4°	120.0°
S25	N24	H20	105.4°	120.0°
S25	C27	H17	109.5°	109.4°
S25	C27	H18	109.5°	109.4°
S25	C27	H19	109.5°	109.4°
C17	C16	N15	105.7°	109.5°
C16	C17	C18	110.8°	109.5°
C17	C16	H6	110.4°	109.4°
C17	C16	H7	110.4°	109.5°
C16	C17	H8	108.8°	109.5°
C16	N15	C13	123.8°	120.0°
N15	C16	H6	110.4°	109.5°
N15	C16	H7	110.4°	109.5°
C16	N15	H23	118.1°	120.0°
C17	C18	C20	109.3°	109.3°
C18	C17	H8	108.6°	109.6°
C17	C18	H9	109.5°	109.5°
C17	C18	H10	109.5°	109.5°
N24	C4	C2	122.5°	120.0°
N24	C4	C6	118.5°	120.0°
C4	N24	H20	105.3°	120.0°
N22	C20	C18	112.0°	109.5°
C20	N22	H15	107.3°	111.0°
N22	C20	H24	108.8°	109.5°
N22	C20	H25	108.8°	109.4°
N15	C13	O14	122.8°	120.0°
N15	C13	C11	116.0°	120.0°
C13	N15	H23	118.1°	120.0°
C2	C4	C6	118.9°	119.9°
C4	C2	C1	120.0°	119.8°
C4	C2	H1	120.0°	120.0°
C4	C6	C5	120.8°	120.2°
C4	C6	H4	119.6°	119.9°
C20	C18	H9	109.5°	109.5°
C20	C18	H10	109.5°	109.5°
C18	C20	H24	108.8°	109.5°
C18	C20	H25	108.8°	109.5°
C2	C1	C7	116.9°	120.1°
C2	C1	C3	120.7°	119.9°
C1	C2	H1	120.0°	120.2°
O14	C13	C11	121.1°	120.0°
C13	C11	N9	115.8°	120.1°
C13	C11	C12	125.6°	120.1°
C6	C5	C3	120.4°	120.2°
C6	C5	H3	119.8°	119.9°
C5	C6	H4	119.6°	119.9°
C11	N9	C7	121.6°	120.0°
N9	C11	C12	118.5°	119.8°
N9	C7	C1	116.0°	120.0°
N9	C7	C8	119.9°	120.1°
C11	C12	N23	122.4°	120.1°
C11	C12	N10	120.1°	119.9°
C7	C1	C3	122.5°	120.1°
C1	C7	C8	124.1°	119.9°
C1	C3	C5	119.2°	120.0°
C1	C3	H2	120.4°	120.0°
C5	C3	H2	120.4°	120.0°
C3	C5	H3	119.8°	119.9°
C7	C8	N10	119.2°	120.2°
C7	C8	H5	120.4°	120.0°
N23	C12	N10	117.4°	120.1°
C12	N23	H21	109.5°	120.0°
C12	N23	H22	109.5°	120.0°
C12	N10	C8	120.5°	120.1°
N10	C8	H5	120.4°	119.8°
H6	C16	H7	109.5°	109.5°
H9	C18	H10	109.5°	109.6°
H11	C19	H12	109.4°	109.5°
H13	C21	H14	109.5°	109.5°
H17	C27	H18	109.4°	109.5°
H17	C27	H19	109.5°	109.5°
H18	C27	H19	109.5°	109.5°
H21	N23	H22	109.4°	120.0°
H24	C20	H25	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O28	S25	O26	N24	122.1°	116.7°
O28	S25	O26	C27	120.3°	131.5°
O28	S25	N24	C27	117.4°	116.1°
O28	S25	N24	C4	158.0°	51.6°
O28	S25	C27	H17	180.0°	73.4°
O28	S25	C27	H18	60.0°	46.6°
O28	S25	C27	H19	60.0°	166.6°
O28	S25	N24	H20	79.9°	128.4°
C19	C21	N22	H13	120.2°	120.0°
C19	C21	N22	H14	120.2°	120.1°
C21	C19	C17	H11	119.6°	119.9°
C21	C19	C17	H12	119.6°	120.0°
C21	C19	C17	C16	171.8°	177.6°
C21	C19	C17	C18	65.9°	57.7°
C19	C21	N22	C20	49.4°	61.8°
C21	C19	C17	H8	52.1°	62.3°
C21	C19	H11	H12	121.1°	120.2°
C19	C21	H13	H14	119.4°	120.0°
C19	C21	N22	H15	71.8°	62.3°
N22	C21	C19	C17	58.0°	59.2°
C21	N22	C20	H15	121.2°	124.1°
C21	N22	C20	C18	45.0°	61.7°
N22	C21	C19	H11	177.6°	60.7°
N22	C21	C19	H12	61.7°	179.1°
N22	C21	H13	H14	119.4°	120.0°
C21	N22	C20	H24	165.4°	58.3°
C21	N22	C20	H25	75.4°	178.2°
C19	C17	C16	C18	121.0°	119.7°
C19	C17	C16	H8	119.7°	120.2°
C19	C17	C16	N15	169.3°	65.3°
C19	C17	C18	H8	118.1°	119.9°
C19	C17	C18	C20	62.0°	57.7°
C19	C17	C16	H6	49.9°	54.7°
C19	C17	C16	H7	71.3°	174.7°
C19	C17	C18	H9	178.0°	177.6°
C19	C17	C18	H10	57.9°	62.3°
C17	C19	H11	H12	121.1°	120.1°
C17	C19	C21	H13	178.2°	179.2°
C17	C19	C21	H14	62.2°	60.9°
O26	S25	N24	C27	121.0°	116.1°
O26	S25	N24	C4	36.4°	179.4°
O26	S25	C27	H17	59.4°	63.4°
O26	S25	C27	H18	60.6°	176.6°
O26	S25	C27	H19	179.4°	56.6°
O26	S25	N24	H20	158.5°	0.6°
S25	N24	C4	H20	122.1°	180.0°
S25	N24	C4	C2	8.6°	104.8°
S25	N24	C4	C6	168.5°	75.1°
N24	S25	C27	H17	61.8°	175.0°
N24	S25	C27	H18	178.2°	65.0°
N24	S25	C27	H19	58.3°	55.0°
C27	S25	N24	C4	84.6°	64.5°
S25	C27	H17	H18	120.0°	120.0°
S25	C27	H17	H19	120.0°	120.0°
S25	C27	H18	H19	120.0°	120.0°
C27	S25	N24	H20	37.5°	115.5°
C17	C16	N15	H6	119.4°	120.0°
C17	C16	N15	H7	119.4°	120.1°
C16	C17	C18	H8	119.4°	120.2°
C17	C16	N15	C13	134.3°	180.0°
C16	C17	C18	C20	175.5°	177.6°
C17	C16	H6	H7	121.8°	120.0°
C16	C17	C18	H9	55.5°	62.5°
C16	C17	C18	H10	64.5°	57.6°
C16	C17	C19	H11	52.2°	57.6°
C16	C17	C19	H12	68.5°	62.5°
C17	C16	N15	H23	45.7°	0.0°
N15	C16	C17	C18	69.7°	175.1°
C16	N15	C13	H23	180.0°	180.0°
C16	N15	C13	O14	0.1°	0.1°
C16	N15	C13	C11	177.4°	180.0°
N15	C16	H6	H7	121.7°	120.0°
N15	C16	C17	H8	49.6°	54.9°
C17	C18	C20	N22	49.7°	59.2°
C17	C18	C20	H9	120.0°	119.9°
C17	C18	C20	H10	120.0°	120.0°
C18	C17	C16	H6	170.9°	65.0°
C18	C17	C16	H7	49.6°	55.0°
C17	C18	H9	H10	120.1°	120.2°
C18	C17	C19	H11	174.5°	62.2°
C18	C17	C19	H12	53.7°	177.7°
C17	C18	C20	H24	170.0°	60.8°
C17	C18	C20	H25	70.7°	179.2°
N24	C4	C2	C6	177.0°	180.0°
N24	C4	C2	C1	178.7°	180.0°
N24	C4	C6	C5	178.6°	179.8°
N24	C4	C2	H1	1.3°	0.0°
N24	C4	C6	H4	1.4°	0.0°
N22	C20	C18	H24	120.4°	120.0°
N22	C20	C18	H25	120.4°	120.0°
N22	C20	C18	H9	169.6°	179.1°
N22	C20	C18	H10	70.3°	60.8°
C20	N22	C21	H13	169.6°	178.3°
C20	N22	C21	H14	70.8°	58.3°
N22	C20	H24	H25	118.8°	119.9°
N15	C13	O14	C11	177.1°	180.0°
N15	C13	C11	N9	5.9°	5.4°
N15	C13	C11	C12	177.2°	174.5°
C13	N15	C16	H6	106.3°	60.0°
C13	N15	C16	H7	14.9°	59.9°
C4	C2	C1	H1	180.0°	180.0°
C2	C4	C6	C5	1.5°	0.3°
C4	C2	C1	C7	179.6°	180.0°
C4	C2	C1	C3	1.2°	0.3°
C2	C4	C6	H4	178.6°	180.0°
C2	C4	N24	H20	130.7°	75.2°
C6	C4	C2	C1	1.7°	0.0°
C4	C6	C5	H4	180.0°	179.8°
C4	C6	C5	C3	0.8°	0.2°
C6	C4	C2	H1	178.4°	180.0°
C4	C6	C5	H3	179.3°	179.7°
C6	C4	N24	H20	46.4°	104.9°
C20	C18	C17	H8	56.0°	62.3°
C20	C18	H9	H10	120.1°	120.1°
C18	C20	N22	H15	76.2°	62.3°
C18	C20	H24	H25	118.8°	120.0°
C2	C1	C7	N9	3.3°	180.0°
C2	C1	C7	C3	179.2°	179.7°
C2	C1	C3	C5	0.5°	0.3°
C2	C1	C7	C8	175.9°	0.3°
C2	C1	C3	H2	179.5°	179.7°
O14	C13	C11	N9	171.5°	174.5°
O14	C13	C11	C12	5.5°	5.5°
O14	C13	N15	H23	179.9°	180.0°
C13	C11	N9	C12	177.1°	179.9°
C13	C11	N9	C7	177.9°	179.4°
C13	C11	C12	N23	2.3°	0.1°
C13	C11	C12	N10	178.2°	179.7°
C11	C13	N15	H23	2.6°	0.0°
C6	C5	C3	C1	0.3°	0.0°
C6	C5	C3	H3	180.0°	179.9°
C6	C5	C3	H2	179.7°	179.9°
C11	N9	C7	C1	179.7°	179.7°
C11	N9	C7	C8	0.5°	0.6°
N9	C11	C12	N23	179.1°	180.0°
N9	C11	C12	N10	1.4°	0.2°
C7	N9	C11	C12	0.8°	0.5°
N9	C7	C1	C8	179.2°	179.7°
N9	C7	C1	C3	175.8°	0.3°
N9	C7	C8	N10	1.2°	0.3°
N9	C7	C8	H5	178.8°	179.7°
C11	C12	N23	N10	179.5°	179.8°
C11	C12	N10	C8	0.7°	0.1°
C11	C12	N23	H21	179.5°	6.4°
C11	C12	N23	H22	59.5°	173.6°
C7	C1	C3	C5	179.6°	180.0°
C1	C7	C8	N10	179.7°	180.0°
C7	C1	C2	H1	0.4°	0.0°
C7	C1	C3	H2	0.4°	0.1°
C1	C7	C8	H5	0.3°	0.0°
C1	C3	C5	H2	180.0°	180.0°
C3	C1	C7	C8	5.0°	180.0°
C3	C1	C2	H1	178.8°	179.8°
C1	C3	C5	H3	179.8°	180.0°
C3	C5	C6	H4	179.3°	180.0°
C7	C8	N10	C12	0.6°	0.0°
C7	C8	N10	H5	180.0°	180.0°
N23	C12	N10	C8	179.8°	179.7°
C12	N23	H21	H22	120.0°	179.9°
C12	N10	C8	H5	179.4°	180.0°
N10	C12	N23	H21	0.0°	173.4°
N10	C12	N23	H22	120.0°	6.6°
H2	C3	C5	H3	0.2°	0.0°
H3	C5	C6	H4	0.7°	0.1°
H6	C16	C17	H8	69.8°	174.8°
H6	C16	N15	H23	73.7°	120.0°
H7	C16	C17	H8	169.0°	65.2°
H7	C16	N15	H23	165.1°	120.0°
H8	C17	C18	H9	63.9°	57.6°
H8	C17	C18	H10	176.0°	177.8°
H8	C17	C19	H11	67.5°	177.8°
H8	C17	C19	H12	171.8°	57.7°
H9	C18	C20	H24	70.0°	59.1°
H9	C18	C20	H25	49.3°	60.9°
H10	C18	C20	H24	50.0°	179.2°
H10	C18	C20	H25	169.3°	59.3°
H11	C19	C21	H13	62.2°	59.3°
H11	C19	C21	H14	57.4°	179.2°
H12	C19	C21	H13	58.5°	60.9°
H12	C19	C21	H14	178.1°	59.1°
H13	C21	N22	H15	48.4°	57.6°
H14	C21	N22	H15	168.0°	177.6°
H15	N22	C20	H24	44.2°	177.6°
H15	N22	C20	H25	163.4°	57.7°
H17	C27	H18	H19	120.0°	120.1°

Definition date:	2012-01-27
Last modified:	2012-04-20
Release status:	REL
Processing site:	RCSB
Derived from:	4DFL