60K

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	S	sing	1.66Å	1.58Å
O1	S	doub	1.42Å	1.45Å
S	O2	doub	1.42Å	1.44Å
S	C1	sing	1.76Å	1.76Å
C1	C2	doub	1.38Å	1.39Å	Aromatic
C1	C15	sing	1.38Å	1.38Å	Aromatic
HN1	N1	sing	0.97Å	1.00Å
N1	HN1A	sing	0.97Å	1.00Å
H2	C2	sing	1.08Å	1.08Å
C2	C3	sing	1.38Å	1.38Å	Aromatic
C4	N2	sing	1.40Å	1.39Å
N2	N3	sing	1.29Å	1.30Å
N2	HN2	sing	0.97Å	1.00Å
H3	C3	sing	1.08Å	1.08Å
C3	C4	doub	1.39Å	1.39Å	Aromatic
N3	C5	doub	1.31Å	1.32Å
C6	O3	doub	1.22Å	1.23Å
C14	C4	sing	1.39Å	1.39Å	Aromatic
C6	N4	sing	1.34Å	1.36Å
C7	N4	sing	1.39Å	1.39Å
N4	HN4	sing	0.97Å	1.00Å
O4	C11	doub	1.21Å	1.23Å
C5	C13	sing	1.48Å	1.43Å
C5	C6	sing	1.47Å	1.51Å
HO5	O5	sing	0.97Å	0.95Å
C11	O5	sing	1.35Å	1.30Å
C13	C7	doub	1.40Å	1.41Å	Aromatic
C7	C8	sing	1.39Å	1.39Å	Aromatic
C9	C8	doub	1.38Å	1.38Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C10	C9	sing	1.40Å	1.40Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
C11	C10	sing	1.48Å	1.49Å
C12	C10	doub	1.40Å	1.39Å	Aromatic
H12	C12	sing	1.08Å	1.08Å
C12	C13	sing	1.39Å	1.39Å	Aromatic
C15	C14	doub	1.38Å	1.38Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
H15	C15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	S	O1	106.7°	106.4°
N1	S	O2	108.8°	106.4°
N1	S	C1	108.8°	107.2°
S	N1	HN1	109.5°	120.0°
S	N1	HN1A	109.5°	120.0°
O1	S	O2	117.5°	123.2°
O1	S	C1	107.8°	106.4°
O2	S	C1	107.0°	106.4°
S	C1	C2	120.8°	119.9°
S	C1	C15	118.3°	119.9°
C2	C1	C15	120.8°	120.2°
C1	C2	H2	120.4°	120.0°
C1	C2	C3	119.3°	120.0°
C1	C15	C14	119.5°	120.1°
C1	C15	H15	120.3°	120.0°
HN1	N1	HN1A	109.4°	120.0°
H2	C2	C3	120.3°	120.0°
C2	C3	H3	119.9°	120.0°
C2	C3	C4	120.2°	119.9°
C4	N2	N3	120.7°	120.0°
C4	N2	HN2	119.7°	120.0°
N2	C4	C3	122.8°	120.1°
N2	C4	C14	117.6°	120.1°
N3	N2	HN2	119.7°	120.0°
N2	N3	C5	118.1°	120.0°
H3	C3	C4	119.9°	120.0°
C3	C4	C14	119.5°	119.8°
N3	C5	C13	125.8°	127.5°
N3	C5	C6	127.9°	127.5°
O3	C6	N4	127.4°	126.0°
O3	C6	C5	126.5°	126.0°
C4	C14	C15	120.6°	119.9°
C4	C14	H14	119.7°	120.1°
C6	N4	C7	111.5°	111.6°
C6	N4	HN4	124.3°	124.2°
N4	C6	C5	106.0°	108.0°
C7	N4	HN4	124.3°	124.2°
N4	C7	C13	109.1°	109.2°
N4	C7	C8	129.6°	131.5°
O4	C11	O5	123.5°	120.0°
O4	C11	C10	120.5°	120.0°
C13	C5	C6	106.2°	105.0°
C5	C13	C7	107.2°	106.3°
C5	C13	C12	133.9°	133.2°
HO5	O5	C11	109.5°	117.0°
O5	C11	C10	115.9°	120.0°
C13	C7	C8	121.4°	119.3°
C7	C13	C12	118.8°	120.5°
C7	C8	C9	118.6°	120.3°
C7	C8	H8	120.7°	119.9°
C9	C8	H8	120.7°	119.8°
C8	C9	C10	121.1°	120.5°
C8	C9	H9	119.4°	119.7°
C10	C9	H9	119.5°	119.8°
C9	C10	C11	121.1°	120.1°
C9	C10	C12	119.7°	119.8°
C11	C10	C12	119.1°	120.1°
C10	C12	H12	119.8°	120.1°
C10	C12	C13	120.4°	119.6°
H12	C12	C13	119.8°	120.3°
C15	C14	H14	119.7°	120.0°
C14	C15	H15	120.2°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	S	O1	O2	122.4°	123.0°
N1	S	O1	C1	116.7°	114.1°
N1	S	O2	C1	117.4°	114.1°
N1	S	C1	C2	12.2°	90.0°
N1	S	C1	C15	167.1°	90.3°
S	N1	HN1	HN1A	120.0°	179.9°
O1	S	O2	C1	121.3°	122.9°
O1	S	C1	C2	103.2°	156.4°
O1	S	C1	C15	77.5°	23.3°
O1	S	N1	HN1	180.0°	53.5°
O1	S	N1	HN1A	60.0°	126.4°
O2	S	C1	C2	129.6°	23.5°
O2	S	C1	C15	49.7°	156.2°
O2	S	N1	HN1	52.3°	173.6°
O2	S	N1	HN1A	172.2°	6.5°
S	C1	C2	C15	179.3°	179.7°
C1	S	N1	HN1	64.0°	60.0°
C1	S	N1	HN1A	56.0°	120.0°
S	C1	C2	H2	1.2°	0.0°
S	C1	C2	C3	178.7°	180.0°
S	C1	C15	C14	179.7°	179.7°
S	C1	C15	H15	0.3°	0.0°
C1	C2	H2	C3	180.0°	179.9°
C1	C2	C3	H3	180.0°	180.0°
C1	C2	C3	C4	0.0°	0.0°
C2	C1	C15	C14	0.4°	0.6°
C2	C1	C15	H15	179.6°	179.7°
C15	C1	C2	H2	179.5°	179.7°
C15	C1	C2	C3	0.5°	0.3°
C1	C15	C14	C4	1.9°	0.5°
C1	C15	C14	H15	180.0°	179.7°
C1	C15	C14	H14	178.1°	179.7°
H2	C2	C3	H3	0.1°	0.0°
H2	C2	C3	C4	180.0°	180.0°
C2	C3	C4	N2	174.5°	180.0°
C2	C3	H3	C4	180.0°	180.0°
C2	C3	C4	C14	1.5°	0.0°
C4	N2	N3	HN2	180.0°	180.0°
N2	C4	C3	H3	5.5°	0.0°
N2	C4	C3	C14	176.0°	180.0°
C4	N2	N3	C5	170.7°	180.0°
N2	C4	C14	C15	173.8°	179.8°
N2	C4	C14	H14	6.2°	0.0°
N3	N2	C4	C3	8.5°	180.0°
N3	N2	C4	C14	175.4°	0.0°
N2	N3	C5	C13	173.7°	180.0°
N2	N3	C5	C6	0.8°	0.2°
HN2	N2	C4	C3	171.4°	0.0°
HN2	N2	N3	C5	9.3°	0.1°
HN2	N2	C4	C14	4.6°	180.0°
H3	C3	C4	C14	178.5°	180.0°
C3	C4	C14	C15	2.4°	0.2°
C3	C4	C14	H14	177.6°	180.0°
N3	C5	C6	O3	10.4°	0.0°
N3	C5	C6	N4	172.7°	180.0°
N3	C5	C13	C6	175.5°	179.9°
N3	C5	C13	C7	172.3°	179.9°
N3	C5	C13	C12	4.6°	0.0°
O3	C6	N4	C5	176.9°	179.9°
O3	C6	N4	C7	175.8°	179.8°
O3	C6	N4	HN4	4.3°	0.0°
O3	C6	C5	C13	174.2°	179.9°
C4	C14	C15	H14	180.0°	179.7°
C4	C14	C15	H15	178.1°	179.8°
C6	N4	C7	HN4	180.0°	179.8°
N4	C6	C5	C13	2.7°	0.2°
C6	N4	C7	C13	0.9°	0.2°
C6	N4	C7	C8	177.0°	179.7°
N4	C7	C13	C5	2.6°	0.1°
C7	N4	C6	C5	1.1°	0.2°
N4	C7	C13	C8	178.1°	180.0°
N4	C7	C8	C9	179.9°	180.0°
N4	C7	C8	H8	0.1°	0.0°
N4	C7	C13	C12	179.9°	180.0°
HN4	N4	C6	C5	178.9°	180.0°
HN4	N4	C7	C13	179.1°	180.0°
HN4	N4	C7	C8	3.0°	0.1°
O4	C11	O5	HO5	0.0°	0.1°
O4	C11	O5	C10	178.0°	180.0°
O4	C11	C10	C9	171.5°	180.0°
O4	C11	C10	C12	3.6°	0.0°
C5	C13	C7	C12	177.4°	179.9°
C5	C13	C7	C8	175.5°	179.9°
C5	C13	C12	C10	176.8°	179.8°
C5	C13	C12	H12	3.3°	0.1°
C6	C5	C13	C7	3.2°	0.0°
C6	C5	C13	C12	179.9°	179.9°
HO5	O5	C11	C10	178.0°	179.9°
O5	C11	C10	C9	6.5°	0.0°
O5	C11	C10	C12	178.4°	180.0°
C13	C7	C8	C9	2.2°	0.0°
C13	C7	C8	H8	177.8°	180.0°
C7	C13	C12	C10	0.2°	0.1°
C7	C13	C12	H12	179.9°	180.0°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	C10	0.3°	0.0°
C7	C8	C9	H9	179.7°	179.9°
C8	C7	C13	C12	2.0°	0.1°
C8	C9	C10	H9	180.0°	179.9°
C8	C9	C10	C11	173.3°	180.0°
C8	C9	C10	C12	1.8°	0.1°
H8	C8	C9	C10	179.7°	180.0°
H8	C8	C9	H9	0.3°	0.1°
C9	C10	C11	C12	175.1°	179.9°
C9	C10	C12	H12	178.0°	180.0°
C9	C10	C12	C13	2.0°	0.1°
H9	C9	C10	C11	6.7°	0.1°
H9	C9	C10	C12	178.2°	180.0°
C11	C10	C12	H12	6.8°	0.1°
C11	C10	C12	C13	173.2°	180.0°
C10	C12	H12	C13	180.0°	179.9°
H14	C14	C15	H15	1.9°	0.0°

Release date:	2013-05-08
Definition date:	2011-07-13
Last modified:	2013-05-03
Release status:	REL
Processing site:	RCSB
Derived from:	3SRL