SKE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	S	sing	1.76Å	1.79Å
O2	S	doub	1.42Å	1.50Å
S	N4	sing	1.66Å	1.62Å
S	O1	doub	1.42Å	1.48Å
N1	C1	sing	1.38Å	1.35Å
C1	N6	sing	1.36Å	1.34Å	Aromatic
C1	N2	doub	1.32Å	1.33Å	Aromatic
C11	F1	sing	1.35Å	1.35Å
N1	HN1	sing	0.97Å	1.00Å
N1	HN1A	sing	0.97Å	1.00Å
N2	C2	sing	1.34Å	1.34Å	Aromatic
N5	C2	doub	1.31Å	1.34Å	Aromatic
C2	N3	sing	1.39Å	1.36Å
F2	C15	sing	1.35Å	1.35Å
N3	C3	sing	1.40Å	1.35Å
C4	C3	doub	1.39Å	1.40Å	Aromatic
C3	C8	sing	1.39Å	1.41Å	Aromatic
N3	HN3	sing	0.97Å	1.00Å
O3	C9	doub	1.22Å	1.24Å
C4	C5	sing	1.38Å	1.40Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
N4	HN4	sing	0.97Å	1.00Å
N4	HN4A	sing	0.97Å	1.00Å
C5	C6	doub	1.38Å	1.39Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
N6	N5	sing	1.40Å	1.26Å	Aromatic
C6	C7	sing	1.38Å	1.40Å	Aromatic
C9	N6	sing	1.35Å	1.35Å
C8	C7	doub	1.38Å	1.40Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C9	C10	sing	1.47Å	1.54Å
C15	C10	doub	1.40Å	1.39Å	Aromatic
C10	C11	sing	1.40Å	1.40Å	Aromatic
C11	C12	doub	1.38Å	1.40Å	Aromatic
C13	C12	sing	1.38Å	1.40Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C14	C13	doub	1.38Å	1.40Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C15	C14	sing	1.38Å	1.40Å	Aromatic
C14	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	S	O2	108.0°	106.4°
C6	S	N4	110.3°	107.2°
C6	S	O1	108.5°	106.4°
S	C6	C5	119.3°	119.9°
S	C6	C7	121.0°	120.0°
O2	S	N4	108.5°	106.4°
O2	S	O1	111.3°	123.2°
N4	S	O1	110.1°	106.4°
S	N4	HN4	109.5°	120.0°
S	N4	HN4A	109.5°	120.0°
N1	C1	N6	127.5°	126.2°
N1	C1	N2	124.7°	126.1°
C1	N1	HN1	109.5°	120.0°
C1	N1	HN1A	109.5°	120.1°
N6	C1	N2	107.9°	107.7°
C1	N6	N5	109.5°	106.3°
C1	N6	C9	127.3°	126.8°
C1	N2	C2	105.8°	109.7°
F1	C11	C10	119.9°	120.1°
F1	C11	C12	120.1°	120.1°
HN1	N1	HN1A	109.5°	119.9°
N2	C2	N5	108.4°	109.2°
N2	C2	N3	123.9°	125.4°
N5	C2	N3	127.6°	125.4°
C2	N5	N6	108.4°	107.0°
C2	N3	C3	127.2°	120.0°
C2	N3	HN3	116.4°	120.0°
F2	C15	C10	120.2°	120.1°
F2	C15	C14	120.0°	120.1°
N3	C3	C4	123.2°	120.0°
N3	C3	C8	118.0°	120.1°
C3	N3	HN3	116.4°	120.0°
C4	C3	C8	118.7°	119.8°
C3	C4	C5	120.6°	119.9°
C3	C4	H4	119.7°	120.0°
C3	C8	C7	120.3°	120.0°
C3	C8	H8	119.9°	120.0°
O3	C9	N6	122.8°	120.0°
O3	C9	C10	122.0°	120.0°
C5	C4	H4	119.6°	120.1°
C4	C5	C6	120.2°	120.1°
C4	C5	H5	119.9°	119.9°
HN4	N4	HN4A	109.5°	120.0°
C6	C5	H5	119.9°	120.0°
C5	C6	C7	119.6°	120.1°
N5	N6	C9	123.1°	126.9°
C6	C7	C8	120.6°	120.1°
C6	C7	H7	119.7°	119.9°
N6	C9	C10	114.6°	120.0°
C8	C7	H7	119.7°	120.0°
C7	C8	H8	119.9°	120.0°
C9	C10	C15	119.7°	120.2°
C9	C10	C11	119.9°	120.2°
C15	C10	C11	120.2°	119.6°
C10	C15	C14	119.8°	119.8°
C10	C11	C12	120.0°	119.8°
C11	C12	C13	119.7°	120.1°
C11	C12	H12	120.2°	119.9°
C13	C12	H12	120.2°	120.0°
C12	C13	C14	120.1°	120.5°
C12	C13	H13	119.9°	119.8°
C14	C13	H13	119.9°	119.8°
C13	C14	C15	120.1°	120.2°
C13	C14	H14	119.9°	119.9°
C15	C14	H14	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	S	O2	N4	119.6°	114.1°
C6	S	O2	O1	119.0°	123.0°
C6	S	N4	O1	119.8°	113.6°
S	C6	C5	C4	179.5°	180.0°
C6	S	N4	HN4	180.0°	120.0°
C6	S	N4	HN4A	60.0°	60.0°
S	C6	C5	C7	178.7°	180.0°
S	C6	C5	H5	0.5°	0.0°
S	C6	C7	C8	179.6°	180.0°
S	C6	C7	H7	0.4°	0.0°
O2	S	N4	O1	122.0°	132.9°
O2	S	N4	HN4	61.8°	126.5°
O2	S	N4	HN4A	178.2°	53.5°
O2	S	C6	C5	62.4°	156.5°
O2	S	C6	C7	116.3°	23.5°
S	N4	HN4	HN4A	120.0°	179.9°
N4	S	C6	C5	56.0°	90.0°
N4	S	C6	C7	125.2°	90.0°
O1	S	N4	HN4	60.2°	6.4°
O1	S	N4	HN4A	59.8°	173.6°
O1	S	C6	C5	176.8°	23.6°
O1	S	C6	C7	4.5°	156.4°
N1	C1	N6	N2	179.3°	179.8°
C1	N1	HN1	HN1A	120.0°	179.9°
N1	C1	N2	C2	179.2°	179.7°
N1	C1	N6	N5	179.2°	179.7°
N1	C1	N6	C9	2.7°	0.2°
N6	C1	N1	HN1	179.2°	0.0°
N6	C1	N1	HN1A	59.2°	180.0°
N6	C1	N2	C2	0.1°	0.0°
C1	N6	N5	C2	2.4°	0.0°
C1	N6	C9	O3	1.4°	4.9°
C1	N6	N5	C9	176.7°	180.0°
C1	N6	C9	C10	172.6°	175.1°
N2	C1	N1	HN1	0.0°	179.7°
N2	C1	N1	HN1A	120.0°	0.3°
C1	N2	C2	N5	1.6°	0.0°
C1	N2	C2	N3	179.6°	180.0°
N2	C1	N6	N5	1.4°	0.0°
N2	C1	N6	C9	178.0°	180.0°
F1	C11	C10	C9	3.0°	0.1°
F1	C11	C10	C15	179.6°	179.8°
F1	C11	C10	C12	179.0°	179.9°
F1	C11	C12	C13	179.8°	180.0°
F1	C11	C12	H12	0.2°	0.0°
N2	C2	N5	N3	177.9°	180.0°
N2	C2	N3	C3	170.9°	2.6°
N2	C2	N3	HN3	9.1°	177.3°
N2	C2	N5	N6	2.5°	0.0°
N5	C2	N3	C3	11.5°	177.4°
N5	C2	N3	HN3	168.5°	2.7°
C2	N5	N6	C9	179.2°	180.0°
C2	N3	C3	HN3	180.0°	179.9°
C2	N3	C3	C4	11.6°	149.2°
C2	N3	C3	C8	168.1°	30.5°
N3	C2	N5	N6	179.6°	180.0°
F2	C15	C10	C9	2.0°	0.0°
F2	C15	C10	C14	179.6°	179.7°
F2	C15	C10	C11	178.6°	179.7°
F2	C15	C14	C13	179.2°	179.8°
F2	C15	C14	H14	0.8°	0.1°
N3	C3	C4	C8	179.7°	179.7°
N3	C3	C4	C5	179.7°	179.8°
N3	C3	C4	H4	0.3°	0.3°
N3	C3	C8	C7	179.6°	179.7°
N3	C3	C8	H8	0.4°	0.1°
C4	C3	N3	HN3	168.4°	30.8°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C6	0.3°	0.0°
C3	C4	C5	H5	179.7°	180.0°
C4	C3	C8	C7	0.1°	0.0°
C4	C3	C8	H8	179.9°	179.8°
C8	C3	N3	HN3	11.9°	149.4°
C8	C3	C4	C5	0.0°	0.1°
C8	C3	C4	H4	180.0°	180.0°
C3	C8	C7	C6	0.6°	0.0°
C3	C8	C7	H8	180.0°	179.8°
C3	C8	C7	H7	179.4°	180.0°
O3	C9	N6	N5	174.8°	175.1°
O3	C9	N6	C10	171.2°	180.0°
O3	C9	C10	C15	56.6°	84.9°
O3	C9	C10	C11	126.8°	94.8°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	C7	0.8°	0.0°
H4	C4	C5	C6	179.7°	180.0°
H4	C4	C5	H5	0.3°	0.1°
C5	C6	C7	C8	0.9°	0.0°
C5	C6	C7	H7	179.1°	180.0°
H5	C5	C6	C7	179.3°	180.0°
N5	N6	C9	C10	3.5°	4.9°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	H8	179.4°	179.8°
N6	C9	C10	C15	114.7°	95.1°
N6	C9	C10	C11	61.9°	85.2°
H7	C7	C8	H8	0.6°	0.2°
C9	C10	C15	C11	176.6°	179.7°
C9	C10	C11	C12	177.9°	180.0°
C9	C10	C15	C14	177.5°	179.8°
C15	C10	C11	C12	1.3°	0.3°
C10	C15	C14	C13	0.3°	0.5°
C10	C15	C14	H14	179.7°	179.7°
C10	C11	C12	C13	1.1°	0.0°
C10	C11	C12	H12	178.9°	180.0°
C11	C10	C15	C14	0.9°	0.5°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	0.5°	0.0°
C11	C12	C13	H13	179.5°	180.0°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	C15	0.1°	0.2°
C12	C13	C14	H14	179.9°	180.0°
H12	C12	C13	C14	179.5°	180.0°
H12	C12	C13	H13	0.5°	0.0°
C13	C14	C15	H14	180.0°	179.8°
H13	C13	C14	C15	179.9°	179.8°
H13	C13	C14	H14	0.1°	0.1°

Definition date:	2010-08-19
Last modified:	2011-07-29
Release status:	REL
Processing site:	PDBJ
Derived from:	3AMA