P2M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S	N1	sing	1.66Å	1.60Å
S	O1	doub	1.42Å	1.44Å
S	O2	doub	1.42Å	1.44Å
S	C4	sing	1.76Å	1.59Å
C1	C2	doub	1.41Å	1.39Å	Aromatic
C1	C6	sing	1.36Å	1.39Å	Aromatic
N1	C11	sing	1.47Å	1.45Å
C2	C3	sing	1.42Å	1.39Å	Aromatic
C2	C10	sing	1.41Å	1.39Å	Aromatic
N2	C12	doub	1.32Å	1.35Å	Aromatic
N2	C13	sing	1.32Å	1.34Å	Aromatic
C3	C4	doub	1.41Å	1.39Å	Aromatic
C3	C7	sing	1.40Å	1.39Å	Aromatic
C4	C5	sing	1.36Å	1.39Å	Aromatic
C5	C6	doub	1.39Å	1.39Å	Aromatic
C7	C8	doub	1.36Å	1.39Å	Aromatic
C8	C9	sing	1.39Å	1.39Å	Aromatic
C9	C10	doub	1.36Å	1.39Å	Aromatic
C11	C12	sing	1.51Å	1.51Å
C12	C16	sing	1.38Å	1.39Å	Aromatic
C13	C14	doub	1.38Å	1.39Å	Aromatic
C14	C15	sing	1.39Å	1.39Å	Aromatic
C15	C16	doub	1.39Å	1.39Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
N1	HN1	sing	0.97Å	1.00Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	S	O1	109.5°	106.4°
N1	S	O2	109.5°	106.4°
N1	S	C4	109.5°	107.3°
S	N1	C11	120.0°	120.0°
S	N1	HN1	106.1°	120.0°
O1	S	O2	109.4°	123.1°
O1	S	C4	109.5°	106.4°
O2	S	C4	109.5°	106.4°
S	C4	C3	120.0°	120.2°
S	C4	C5	120.0°	120.2°
C2	C1	C6	120.0°	119.6°
C1	C2	C3	120.0°	119.4°
C1	C2	C10	120.0°	121.3°
C2	C1	H1	120.0°	120.2°
C1	C6	C5	120.0°	121.0°
C6	C1	H1	120.0°	120.2°
C1	C6	H6	120.0°	119.5°
N1	C11	C12	109.5°	109.5°
C11	N1	HN1	106.1°	120.0°
N1	C11	H11	109.4°	109.5°
N1	C11	H11A	109.5°	109.5°
C3	C2	C10	120.0°	119.4°
C2	C3	C4	120.0°	119.4°
C2	C3	C7	120.0°	119.4°
C2	C10	C9	120.0°	119.6°
C2	C10	H10	120.0°	120.2°
C12	N2	C13	121.1°	121.7°
N2	C12	C11	119.8°	119.6°
N2	C12	C16	120.4°	120.8°
N2	C13	C14	120.6°	120.7°
N2	C13	H13	119.7°	119.6°
C4	C3	C7	120.0°	121.3°
C3	C4	C5	120.0°	119.7°
C3	C7	C8	120.0°	119.6°
C3	C7	H7	120.0°	120.3°
C4	C5	C6	120.0°	121.0°
C4	C5	H5	120.0°	119.5°
C6	C5	H5	120.0°	119.5°
C5	C6	H6	120.0°	119.5°
C7	C8	C9	120.0°	121.0°
C8	C7	H7	120.0°	120.1°
C7	C8	H8	120.0°	119.5°
C8	C9	C10	120.0°	121.0°
C9	C8	H8	120.0°	119.5°
C8	C9	H9	120.0°	119.6°
C10	C9	H9	120.0°	119.5°
C9	C10	H10	120.0°	120.1°
C11	C12	C16	119.9°	119.6°
C12	C11	H11	109.5°	109.4°
C12	C11	H11A	109.5°	109.5°
C12	C16	C15	119.5°	119.2°
C12	C16	H16	120.3°	120.4°
C13	C14	C15	119.6°	119.2°
C14	C13	H13	119.7°	119.6°
C13	C14	H14	120.2°	120.4°
C14	C15	C16	119.0°	118.4°
C15	C14	H14	120.2°	120.4°
C14	C15	H15	120.5°	120.8°
C16	C15	H15	120.5°	120.8°
C15	C16	H16	120.2°	120.4°
H11	C11	H11A	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	S	O1	O2	120.0°	123.0°
N1	S	O1	C4	120.0°	114.1°
N1	S	O2	C4	120.0°	114.2°
S	N1	C11	HN1	120.0°	180.0°
N1	S	C4	C3	33.4°	63.9°
N1	S	C4	C5	146.6°	116.0°
S	N1	C11	C12	48.1°	163.1°
S	N1	C11	H11	168.1°	76.9°
S	N1	C11	H11A	72.0°	43.1°
O1	S	O2	C4	120.0°	122.9°
O1	S	N1	C11	164.2°	177.1°
O1	S	C4	C3	86.6°	49.6°
O1	S	C4	C5	93.3°	130.4°
O1	S	N1	HN1	75.9°	2.9°
O2	S	N1	C11	44.2°	50.0°
O2	S	C4	C3	153.4°	177.5°
O2	S	C4	C5	26.6°	2.5°
O2	S	N1	HN1	164.2°	130.0°
C4	S	N1	C11	75.8°	63.6°
S	C4	C3	C2	180.0°	180.0°
S	C4	C3	C5	179.9°	180.0°
S	C4	C3	C7	0.1°	0.0°
S	C4	C5	C6	180.0°	180.0°
C4	S	N1	HN1	44.2°	116.4°
S	C4	C5	H5	0.0°	0.0°
C2	C1	C6	H1	180.0°	179.7°
C1	C2	C3	C10	179.9°	180.0°
C1	C2	C3	C4	0.1°	0.0°
C1	C2	C3	C7	180.0°	180.0°
C2	C1	C6	C5	0.0°	0.0°
C1	C2	C10	C9	180.0°	180.0°
C2	C1	C6	H6	180.0°	180.0°
C1	C2	C10	H10	0.0°	0.0°
C6	C1	C2	C3	0.0°	0.0°
C6	C1	C2	C10	180.0°	180.0°
C1	C6	C5	C4	0.0°	0.1°
C1	C6	C5	H6	180.0°	180.0°
C1	C6	C5	H5	180.0°	180.0°
N1	C11	C12	N2	84.9°	85.1°
N1	C11	C12	H11	120.0°	120.0°
N1	C11	C12	H11A	120.0°	120.1°
N1	C11	C12	C16	95.0°	95.0°
N1	C11	H11	H11A	120.0°	120.0°
C2	C3	C4	C7	179.9°	180.0°
C2	C3	C4	C5	0.1°	0.0°
C2	C3	C7	C8	0.0°	0.0°
C3	C2	C10	C9	0.1°	0.0°
C3	C2	C1	H1	180.0°	179.7°
C2	C3	C7	H7	180.0°	180.0°
C3	C2	C10	H10	179.9°	180.0°
C10	C2	C3	C4	180.0°	180.0°
C10	C2	C3	C7	0.1°	0.0°
C2	C10	C9	C8	0.0°	0.1°
C2	C10	C9	H10	180.0°	180.0°
C10	C2	C1	H1	0.0°	0.3°
C2	C10	C9	H9	180.0°	180.0°
N2	C12	C11	C16	179.9°	179.9°
C12	N2	C13	C14	0.1°	0.1°
N2	C12	C16	C15	0.1°	0.0°
N2	C12	C11	H11	155.2°	155.0°
N2	C12	C11	H11A	35.2°	35.0°
C12	N2	C13	H13	179.9°	180.0°
N2	C12	C16	H16	179.9°	180.0°
C13	N2	C12	C11	180.0°	180.0°
C13	N2	C12	C16	0.1°	0.1°
N2	C13	C14	H13	180.0°	179.9°
N2	C13	C14	C15	0.1°	0.0°
N2	C13	C14	H14	179.9°	179.9°
C3	C4	C5	C6	0.1°	0.0°
C4	C3	C7	C8	180.0°	180.0°
C3	C4	C5	H5	180.0°	180.0°
C4	C3	C7	H7	0.0°	0.0°
C7	C3	C4	C5	180.0°	180.0°
C3	C7	C8	H7	180.0°	180.0°
C3	C7	C8	C9	0.0°	0.0°
C3	C7	C8	H8	180.0°	180.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	H6	179.9°	180.0°
C5	C6	C1	H1	180.0°	179.7°
C7	C8	C9	H8	180.0°	179.9°
C7	C8	C9	C10	0.0°	0.1°
C7	C8	C9	H9	180.0°	180.0°
C8	C9	C10	H9	180.0°	179.9°
C9	C8	C7	H7	180.0°	179.9°
C8	C9	C10	H10	179.9°	179.9°
C10	C9	C8	H8	180.0°	180.0°
C11	C12	C16	C15	180.0°	180.0°
C12	C11	N1	HN1	71.9°	16.9°
C12	C11	H11	H11A	120.0°	120.0°
C11	C12	C16	H16	0.0°	0.1°
C12	C16	C15	C14	0.0°	0.0°
C12	C16	C15	H16	180.0°	180.0°
C16	C12	C11	H11	24.9°	25.0°
C16	C12	C11	H11A	144.9°	144.9°
C12	C16	C15	H15	180.0°	179.9°
C13	C14	C15	H14	180.0°	180.0°
C13	C14	C15	C16	0.0°	0.0°
C13	C14	C15	H15	180.0°	179.9°
C14	C15	C16	H15	180.0°	179.9°
C15	C14	C13	H13	179.9°	179.9°
C14	C15	C16	H16	180.0°	179.9°
C16	C15	C14	H14	180.0°	180.0°
H1	C1	C6	H6	0.0°	0.3°
HN1	N1	C11	H11	48.1°	103.1°
HN1	N1	C11	H11A	168.0°	136.9°
H5	C5	C6	H6	0.0°	0.0°
H7	C7	C8	H8	0.0°	0.0°
H8	C8	C9	H9	0.0°	0.1°
H9	C9	C10	H10	0.1°	0.0°
H13	C13	C14	H14	0.1°	0.0°
H14	C14	C15	H15	0.0°	0.1°
H15	C15	C16	H16	0.0°	0.0°

Definition date:	2010-08-03
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3NJ0