AK2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C26	C27	doub	1.38Å	1.39Å	Aromatic
C27	C22	sing	1.39Å	1.40Å	Aromatic
C27	H27	sing	1.08Å	1.08Å
C26	C25	sing	1.38Å	1.40Å	Aromatic
C26	H26	sing	1.08Å	1.08Å
C25	C24	doub	1.38Å	1.39Å	Aromatic
C24	CL28	sing	1.74Å	1.78Å
C24	C23	sing	1.38Å	1.39Å	Aromatic
C22	C23	doub	1.39Å	1.39Å	Aromatic
C23	H23	sing	1.08Å	1.08Å
C22	N20	sing	1.40Å	1.41Å
C13	C17	doub	1.33Å	1.27Å	Aromatic
C17	N16	sing	1.32Å	1.28Å	Aromatic
C17	H17	sing	1.08Å	1.08Å
S14	C15	sing	1.71Å	1.57Å	Aromatic
C15	N18	sing	1.39Å	1.35Å
C15	N16	doub	1.30Å	1.33Å	Aromatic
C11	C12	sing	1.53Å	1.53Å
C12	C13	sing	1.51Å	1.53Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
S14	C13	sing	1.76Å	1.57Å	Aromatic
N10	C11	sing	1.47Å	1.47Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C8	C9	doub	1.32Å	1.26Å	Aromatic
C9	C2	sing	1.40Å	1.29Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
S7	C8	sing	1.76Å	1.68Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
N3	C4	doub	1.31Å	1.35Å	Aromatic
N5	C4	sing	1.32Å	1.35Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C1	C6	sing	1.40Å	1.41Å	Aromatic
N10	C6	sing	1.39Å	1.36Å
C6	N5	doub	1.33Å	1.36Å	Aromatic
C1	C2	doub	1.40Å	1.38Å	Aromatic
C2	N3	sing	1.35Å	1.35Å	Aromatic
S7	C1	sing	1.76Å	1.70Å	Aromatic
C25	H25	sing	1.08Å	1.08Å
C19	N20	sing	1.35Å	1.33Å
N20	HN20	sing	0.97Å	1.00Å
O21	C19	doub	1.22Å	1.23Å
C19	N18	sing	1.35Å	1.34Å
N18	HN18	sing	0.97Å	1.00Å
N10	HN10	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C26	C27	C22	120.9°	119.9°
C26	C27	H27	119.6°	120.1°
C27	C26	C25	119.7°	120.1°
C27	C26	H26	120.2°	119.9°
C22	C27	H27	119.5°	120.0°
C27	C22	C23	119.1°	119.9°
C27	C22	N20	123.3°	120.1°
C25	C26	H26	120.1°	120.0°
C26	C25	C24	119.0°	120.1°
C26	C25	H25	120.5°	120.0°
C25	C24	CL28	120.2°	120.0°
C25	C24	C23	121.3°	120.0°
C24	C25	H25	120.5°	119.9°
CL28	C24	C23	118.5°	120.0°
C24	C23	C22	119.9°	119.9°
C24	C23	H23	120.1°	120.0°
C22	C23	H23	120.1°	120.0°
C23	C22	N20	117.6°	120.0°
C22	N20	C19	125.8°	120.0°
C22	N20	HN20	117.1°	120.0°
C13	C17	N16	113.7°	114.6°
C13	C17	H17	123.1°	122.7°
C17	C13	C12	124.0°	126.0°
C17	C13	S14	111.4°	108.0°
N16	C17	H17	123.1°	122.7°
C17	N16	C15	111.8°	116.9°
S14	C15	N18	127.2°	125.0°
S14	C15	N16	109.9°	110.1°
C15	S14	C13	93.2°	90.4°
N18	C15	N16	122.9°	124.9°
C15	N18	C19	125.5°	120.0°
C15	N18	HN18	117.3°	120.0°
C11	C12	C13	111.6°	109.5°
C11	C12	H12	108.8°	109.5°
C11	C12	H12A	108.3°	109.4°
C12	C11	N10	107.2°	109.5°
C12	C11	H11	110.2°	109.5°
C12	C11	H11A	110.7°	109.5°
C13	C12	H12	108.8°	109.5°
C13	C12	H12A	108.3°	109.5°
C12	C13	S14	124.7°	126.0°
H12	C12	H12A	111.1°	109.5°
N10	C11	H11	110.2°	109.5°
N10	C11	H11A	110.7°	109.4°
C11	N10	C6	122.1°	120.0°
C11	N10	HN10	105.4°	119.9°
H11	C11	H11A	107.7°	109.4°
C8	C9	C2	113.3°	115.8°
C8	C9	H9	123.3°	122.1°
C9	C8	S7	115.0°	110.7°
C9	C8	H8	122.5°	124.6°
C2	C9	H9	123.3°	122.1°
C9	C2	C1	113.8°	112.6°
C9	C2	N3	125.3°	129.7°
S7	C8	H8	122.5°	124.6°
C8	S7	C1	88.0°	91.5°
N3	C4	N5	121.6°	122.6°
N3	C4	H4	119.2°	118.7°
C4	N3	C2	119.0°	121.1°
N5	C4	H4	119.2°	118.7°
C4	N5	C6	121.6°	120.7°
C1	C6	N10	124.2°	120.6°
C1	C6	N5	117.1°	118.9°
C6	C1	C2	119.7°	118.9°
C6	C1	S7	131.0°	131.6°
N10	C6	N5	118.7°	120.5°
C6	N10	HN10	105.5°	120.0°
C1	C2	N3	120.9°	117.7°
C2	C1	S7	109.3°	109.4°
C19	N20	HN20	117.1°	120.0°
N20	C19	O21	120.7°	119.9°
N20	C19	N18	115.2°	120.0°
O21	C19	N18	124.0°	120.0°
C19	N18	HN18	117.3°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C26	C27	C22	H27	180.0°	179.7°
C27	C26	C25	H26	180.0°	180.0°
C27	C26	C25	C24	0.5°	0.0°
C26	C27	C22	C23	0.2°	0.3°
C26	C27	C22	N20	179.7°	179.7°
C27	C26	C25	H25	179.5°	180.0°
C22	C27	C26	C25	0.4°	0.0°
C22	C27	C26	H26	179.6°	180.0°
C27	C22	C23	C24	0.7°	0.5°
C27	C22	C23	N20	179.9°	180.0°
C27	C22	C23	H23	179.4°	179.4°
C27	C22	N20	C19	21.3°	33.2°
C27	C22	N20	HN20	158.7°	146.7°
H27	C27	C26	C25	179.6°	179.7°
H27	C27	C26	H26	0.4°	0.3°
H27	C27	C22	C23	179.8°	180.0°
H27	C27	C22	N20	0.3°	0.0°
C26	C25	C24	H25	180.0°	179.9°
C26	C25	C24	CL28	179.8°	179.7°
C26	C25	C24	C23	0.0°	0.2°
H26	C26	C25	C24	179.5°	180.0°
H26	C26	C25	H25	0.5°	0.0°
C25	C24	CL28	C23	179.8°	179.5°
C25	C24	C23	C22	0.6°	0.5°
C25	C24	C23	H23	179.4°	179.4°
CL28	C24	C23	C22	179.6°	180.0°
CL28	C24	C23	H23	0.4°	0.1°
CL28	C24	C25	H25	0.2°	0.2°
C24	C23	C22	H23	180.0°	179.9°
C24	C23	C22	N20	179.2°	179.4°
C23	C24	C25	H25	180.0°	179.7°
C23	C22	N20	C19	158.8°	146.8°
C23	C22	N20	HN20	21.2°	33.2°
H23	C23	C22	N20	0.7°	0.6°
C22	N20	C19	HN20	180.0°	180.0°
C22	N20	C19	O21	0.5°	5.4°
C22	N20	C19	N18	179.9°	174.7°
C13	C17	N16	H17	180.0°	179.7°
C17	C13	S14	C15	1.5°	0.2°
C13	C17	N16	C15	2.4°	0.3°
C17	C13	C12	C11	124.1°	90.0°
C17	C13	C12	S14	179.6°	179.9°
C17	C13	C12	H12	115.9°	150.0°
C17	C13	C12	H12A	5.0°	30.0°
C17	N16	C15	S14	1.3°	0.4°
C17	N16	C15	N18	177.5°	179.9°
N16	C17	C13	C12	177.9°	179.9°
N16	C17	C13	S14	2.5°	0.0°
H17	C17	N16	C15	177.6°	180.0°
H17	C17	C13	C12	2.1°	0.2°
H17	C17	C13	S14	177.5°	179.7°
S14	C15	N18	N16	178.6°	179.6°
C15	S14	C13	C12	178.9°	179.9°
S14	C15	N18	C19	0.9°	179.6°
S14	C15	N18	HN18	179.1°	0.4°
N18	C15	S14	C13	178.8°	180.0°
C15	N18	C19	N20	180.0°	179.9°
C15	N18	C19	O21	0.5°	0.0°
C15	N18	C19	HN18	180.0°	179.9°
N16	C15	S14	C13	0.1°	0.3°
N16	C15	N18	C19	179.5°	0.1°
N16	C15	N18	HN18	0.5°	180.0°
C11	C12	C13	H12	120.0°	120.0°
C11	C12	C13	H12A	119.1°	120.0°
C11	C12	H12	H12A	119.1°	119.9°
C11	C12	C13	S14	56.3°	90.0°
C12	C11	N10	H11	120.0°	120.1°
C12	C11	N10	H11A	120.9°	120.0°
C12	C11	H11	H11A	120.9°	120.0°
C12	C11	N10	C6	85.8°	180.0°
C12	C11	N10	HN10	34.3°	0.1°
C13	C12	H12	H12A	119.1°	120.0°
C13	C12	C11	N10	171.8°	180.0°
C13	C12	C11	H11	51.8°	60.0°
C13	C12	C11	H11A	67.3°	60.0°
H12	C12	C13	S14	63.8°	30.1°
H12	C12	C11	N10	51.8°	60.0°
H12	C12	C11	H11	68.2°	180.0°
H12	C12	C11	H11A	172.7°	60.0°
H12A	C12	C13	S14	175.3°	150.1°
H12A	C12	C11	N10	69.1°	60.0°
H12A	C12	C11	H11	170.9°	60.1°
H12A	C12	C11	H11A	51.8°	180.0°
N10	C11	H11	H11A	120.9°	119.9°
C11	N10	C6	C1	179.6°	180.0°
C11	N10	C6	HN10	120.0°	179.9°
C11	N10	C6	N5	0.7°	0.0°
H11	C11	N10	C6	154.2°	59.9°
H11	C11	N10	HN10	85.7°	120.0°
H11A	C11	N10	C6	35.1°	60.0°
H11A	C11	N10	HN10	155.1°	120.1°
C8	C9	C2	H9	180.0°	179.8°
C9	C8	S7	H8	180.0°	180.0°
C8	C9	C2	C1	5.8°	0.3°
C8	C9	C2	N3	173.3°	179.8°
C9	C8	S7	C1	8.0°	0.2°
C2	C9	C8	S7	9.5°	0.0°
C2	C9	C8	H8	170.5°	180.0°
C9	C2	N3	C4	179.4°	180.0°
C9	C2	C1	C6	179.1°	180.0°
C9	C2	C1	N3	179.1°	180.0°
C9	C2	C1	S7	0.3°	0.4°
H9	C9	C8	S7	170.5°	179.8°
H9	C9	C8	H8	9.5°	0.3°
H9	C9	C2	C1	174.3°	180.0°
H9	C9	C2	N3	6.7°	0.0°
C8	S7	C1	C6	174.9°	179.9°
C8	S7	C1	C2	4.4°	0.3°
H8	C8	S7	C1	172.0°	179.8°
N3	C4	N5	H4	180.0°	180.0°
N3	C4	N5	C6	0.3°	0.0°
C4	N3	C2	C1	0.4°	0.1°
C4	N5	C6	C1	0.2°	0.1°
C4	N5	C6	N10	179.5°	180.0°
N5	C4	N3	C2	0.6°	0.0°
H4	C4	N5	C6	179.8°	180.0°
H4	C4	N3	C2	179.4°	179.9°
C1	C6	N10	N5	179.6°	179.9°
C6	C1	C2	S7	179.4°	179.7°
C6	C1	C2	N3	0.0°	0.0°
C1	C6	N10	HN10	60.3°	0.2°
N10	C6	C1	C2	179.3°	179.9°
N10	C6	C1	S7	0.0°	0.4°
N5	C6	C1	C2	0.4°	0.0°
N5	C6	C1	S7	179.6°	179.5°
N5	C6	N10	HN10	119.3°	179.9°
N3	C2	C1	S7	179.5°	179.7°
N20	C19	O21	N18	179.6°	180.0°
N20	C19	N18	HN18	0.0°	0.0°
HN20	N20	C19	O21	179.5°	174.7°
HN20	N20	C19	N18	0.1°	5.3°
O21	C19	N18	HN18	179.6°	180.0°

Definition date:	2008-05-05
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3D15