STS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S10	C2	sing	1.81Å	1.81Å
S10	H10	sing	1.34Å	0.95Å
C2	C1	sing	1.53Å	1.52Å
C2	H21	sing	1.09Å	1.12Å
C2	H22	sing	1.09Å	1.12Å
C1	C11	sing	1.51Å	1.48Å
C1	C3	sing	1.53Å	1.52Å
C1	H1	sing	1.09Å	1.12Å
C11	N13	doub	1.30Å	1.35Å	Aromatic
C11	N12	sing	1.36Å	1.34Å	Aromatic
N13	C15	sing	1.36Å	1.33Å	Aromatic
C15	C14	doub	1.41Å	1.46Å	Aromatic
C15	C17	sing	1.39Å	1.39Å	Aromatic
C14	N12	sing	1.38Å	1.33Å	Aromatic
C14	C16	sing	1.39Å	1.38Å	Aromatic
N12	H12	sing	0.97Å	1.02Å
C16	C19	doub	1.38Å	1.39Å	Aromatic
C16	H16	sing	1.08Å	1.10Å
C19	N18	sing	1.32Å	1.34Å	Aromatic
C19	H19	sing	1.08Å	1.10Å
N18	C17	doub	1.32Å	1.34Å	Aromatic
N18	H18	sing	0.97Å	1.02Å
C17	H17	sing	1.08Å	1.10Å
C3	C4	sing	1.51Å	1.51Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.11Å
C4	C5	doub	1.38Å	1.39Å	Aromatic
C4	C9	sing	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.39Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	C7	doub	1.38Å	1.39Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C7	C8	sing	1.38Å	1.39Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
C8	C9	doub	1.38Å	1.39Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C9	H9	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	S10	H10	114.8°	100.0°
S10	C2	C1	114.8°	109.5°
S10	C2	H21	110.3°	109.5°
S10	C2	H22	110.3°	109.5°
C1	C2	H21	110.3°	109.4°
C1	C2	H22	110.3°	109.5°
C2	C1	C11	110.4°	109.4°
C2	C1	C3	108.2°	109.5°
C2	C1	H1	109.5°	109.5°
H21	C2	H22	100.0°	109.5°
C11	C1	C3	108.8°	109.5°
C11	C1	H1	108.9°	109.5°
C1	C11	N13	124.8°	124.9°
C1	C11	N12	125.3°	125.0°
C3	C1	H1	111.1°	109.5°
C1	C3	C4	111.4°	109.5°
C1	C3	H31	111.5°	109.5°
C1	C3	H32	111.5°	109.5°
N13	C11	N12	110.0°	110.1°
C11	N13	C15	109.4°	109.6°
C11	N12	C14	108.4°	107.4°
C11	N12	H12	126.0°	126.4°
N13	C15	C14	105.0°	106.8°
N13	C15	C17	135.3°	134.5°
C14	C15	C17	119.7°	118.7°
C15	C14	N12	107.2°	106.1°
C15	C14	C16	117.6°	118.6°
C15	C17	N18	119.6°	120.3°
C15	C17	H17	121.7°	119.8°
N12	C14	C16	135.2°	135.3°
C14	N12	H12	125.6°	126.3°
C14	C16	C19	119.5°	118.8°
C14	C16	H16	119.8°	120.6°
C19	C16	H16	120.7°	120.6°
C16	C19	N18	121.7°	121.3°
C16	C19	H19	120.9°	119.4°
N18	C19	H19	117.3°	119.3°
C19	N18	C17	121.9°	122.3°
C19	N18	H18	119.0°	118.8°
C17	N18	H18	119.1°	118.8°
N18	C17	H17	118.7°	119.9°
C4	C3	H31	111.5°	109.5°
C4	C3	H32	111.5°	109.5°
C3	C4	C5	120.5°	120.0°
C3	C4	C9	119.7°	120.0°
H31	C3	H32	98.9°	109.4°
C5	C4	C9	119.9°	120.0°
C4	C5	C6	120.2°	120.0°
C4	C5	H5	119.9°	120.0°
C4	C9	C8	120.1°	120.0°
C4	C9	H9	119.8°	120.0°
C6	C5	H5	119.9°	120.0°
C5	C6	C7	119.8°	120.0°
C5	C6	H6	120.1°	120.0°
C7	C6	H6	120.1°	120.0°
C6	C7	C8	120.0°	120.0°
C6	C7	H7	120.0°	120.0°
C8	C7	H7	120.0°	120.0°
C7	C8	C9	120.0°	120.0°
C7	C8	H8	119.9°	120.0°
C9	C8	H8	120.1°	120.0°
C8	C9	H9	120.1°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S10	C2	C1	H21	125.2°	120.0°
S10	C2	C1	H22	125.3°	120.0°
S10	C2	H21	H22	116.1°	120.0°
S10	C2	C1	C11	73.0°	174.7°
S10	C2	C1	C3	168.0°	65.4°
S10	C2	C1	H1	46.8°	54.7°
H10	S10	C2	C1	180.0°	180.0°
H10	S10	C2	H21	54.8°	60.0°
H10	S10	C2	H22	54.7°	60.0°
C1	C2	H21	H22	116.1°	120.0°
C2	C1	C11	C3	118.6°	120.0°
C2	C1	C11	H1	120.2°	120.0°
C2	C1	C3	H1	120.2°	120.0°
C2	C1	C11	N13	45.1°	144.7°
C2	C1	C11	N12	135.3°	35.0°
C2	C1	C3	C4	163.3°	174.9°
C2	C1	C3	H31	71.4°	54.9°
C2	C1	C3	H32	38.1°	65.1°
H21	C2	C1	C11	52.2°	65.4°
H21	C2	C1	C3	66.8°	54.6°
H21	C2	C1	H1	172.1°	174.6°
H22	C2	C1	C11	161.7°	54.6°
H22	C2	C1	C3	42.7°	174.6°
H22	C2	C1	H1	78.4°	65.4°
C11	C1	C3	H1	119.8°	120.0°
C1	C11	N13	N12	179.6°	179.7°
C1	C11	N13	C15	179.9°	179.9°
C1	C11	N12	C14	179.2°	180.0°
C1	C11	N12	H12	0.8°	0.1°
C11	C1	C3	C4	76.7°	65.1°
C11	C1	C3	H31	48.6°	174.9°
C11	C1	C3	H32	158.1°	54.9°
C3	C1	C11	N13	73.5°	95.3°
C3	C1	C11	N12	106.1°	85.0°
C1	C3	C4	H31	125.3°	120.0°
C1	C3	C4	H32	125.3°	120.0°
C1	C3	H31	H32	117.4°	120.0°
C1	C3	C4	C5	113.2°	93.6°
C1	C3	C4	C9	67.2°	86.8°
H1	C1	C11	N13	165.3°	24.7°
H1	C1	C11	N12	15.1°	155.0°
H1	C1	C3	C4	43.2°	54.9°
H1	C1	C3	H31	168.4°	65.1°
H1	C1	C3	H32	82.1°	174.9°
C11	N13	C15	C14	0.8°	0.4°
C11	N13	C15	C17	179.4°	179.9°
N13	C11	N12	C14	0.5°	0.3°
N13	C11	N12	H12	179.5°	179.8°
N12	C11	N13	C15	0.2°	0.4°
C11	N12	C14	C15	0.9°	0.0°
C11	N12	C14	H12	180.0°	179.9°
C11	N12	C14	C16	180.0°	180.0°
N13	C15	C14	C17	178.9°	179.8°
N13	C15	C14	N12	1.0°	0.2°
N13	C15	C14	C16	179.7°	179.8°
N13	C15	C17	N18	179.9°	179.7°
N13	C15	C17	H17	0.2°	0.3°
C15	C14	N12	C16	179.1°	180.0°
C15	C14	N12	H12	179.1°	180.0°
C15	C14	C16	C19	0.0°	0.0°
C15	C14	C16	H16	180.0°	180.0°
C14	C15	C17	N18	1.3°	0.0°
C14	C15	C17	H17	178.7°	180.0°
C17	C15	C14	N12	180.0°	180.0°
C17	C15	C14	C16	0.8°	0.0°
C15	C17	N18	C19	1.1°	0.0°
C15	C17	N18	H17	180.0°	180.0°
C15	C17	N18	H18	178.9°	180.0°
N12	C14	C16	C19	179.0°	180.0°
N12	C14	C16	H16	1.0°	0.0°
C16	C14	N12	H12	0.0°	0.1°
C14	C16	C19	H16	180.0°	180.0°
C14	C16	C19	N18	0.2°	0.0°
C14	C16	C19	H19	179.8°	180.0°
C16	C19	N18	H19	180.0°	180.0°
C16	C19	N18	C17	0.4°	0.0°
C16	C19	N18	H18	179.7°	180.0°
H16	C16	C19	N18	179.8°	180.0°
H16	C16	C19	H19	0.2°	0.0°
C19	N18	C17	H18	180.0°	180.0°
C19	N18	C17	H17	178.9°	179.9°
H19	C19	N18	C17	179.7°	180.0°
H19	C19	N18	H18	0.3°	0.0°
H18	N18	C17	H17	1.1°	0.1°
C4	C3	H31	H32	117.4°	120.0°
C3	C4	C5	C9	179.6°	179.7°
C3	C4	C5	C6	179.5°	180.0°
C3	C4	C5	H5	0.5°	0.0°
C3	C4	C9	C8	179.8°	179.8°
C3	C4	C9	H9	0.2°	0.3°
H31	C3	C4	C5	12.1°	26.4°
H31	C3	C4	C9	167.5°	153.2°
H32	C3	C4	C5	121.6°	146.4°
H32	C3	C4	C9	58.0°	33.2°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C7	0.7°	0.1°
C4	C5	C6	H6	179.3°	179.9°
C5	C4	C9	C8	0.2°	0.5°
C5	C4	C9	H9	179.8°	179.9°
C9	C4	C5	C6	0.1°	0.3°
C9	C4	C5	H5	179.9°	179.7°
C4	C9	C8	C7	0.1°	0.4°
C4	C9	C8	H9	180.0°	179.5°
C4	C9	C8	H8	179.9°	179.7°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C8	1.0°	0.0°
C5	C6	C7	H7	179.0°	180.0°
H5	C5	C6	C7	179.3°	180.0°
H5	C5	C6	H6	0.7°	0.0°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C9	0.7°	0.2°
C6	C7	C8	H8	179.3°	179.9°
H6	C6	C7	C8	179.0°	180.0°
H6	C6	C7	H7	1.0°	0.0°
C7	C8	C9	H8	180.0°	179.9°
C7	C8	C9	H9	179.9°	180.0°
H7	C7	C8	C9	179.3°	179.8°
H7	C7	C8	H8	0.7°	0.0°
H8	C8	C9	H9	0.1°	0.1°

Definition date:	2005-01-12
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1Y8J