PSP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N2	sing	1.46Å	1.48Å
C1	C2	sing	1.53Å	1.53Å
C1	H1A	sing	1.09Å	1.09Å
C1	H2A	sing	1.09Å	1.09Å
C5A	C8	sing	1.48Å	1.42Å
C5A	C4	sing	1.40Å	1.41Å	Aromatic
C5A	C6	doub	1.40Å	1.41Å	Aromatic
O10	N9	sing	1.42Å	1.32Å
O10	H10A	sing	0.97Å	0.96Å
N9	C8	doub	1.29Å	1.33Å
C8	H8	sing	1.08Å	1.08Å
C4	C3	doub	1.38Å	1.41Å	Aromatic
C4	H4A	sing	1.08Å	1.08Å
C3	N2	sing	1.32Å	1.36Å	Aromatic
C3	H3A	sing	1.08Å	1.08Å
N2	C7	doub	1.32Å	1.36Å	Aromatic
C7	C6	sing	1.38Å	1.41Å	Aromatic
C7	H7A	sing	1.08Å	1.08Å
C6	H6A	sing	1.08Å	1.08Å
C2	C5	sing	1.53Å	1.54Å
C2	H3	sing	1.09Å	1.09Å
C2	H4	sing	1.09Å	1.09Å
C5	N8	sing	1.47Å	1.48Å
C5	H6	sing	1.09Å	1.09Å
C5	H7	sing	1.09Å	1.09Å
N8	C9	doub	1.32Å	1.35Å	Aromatic
N8	C13	sing	1.32Å	1.36Å	Aromatic
C9	C10	sing	1.38Å	1.41Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
C10	C11	doub	1.40Å	1.40Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C11	C12	sing	1.40Å	1.41Å	Aromatic
C11	C14	sing	1.48Å	1.42Å
C12	C13	doub	1.38Å	1.41Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C14	N15	doub	1.29Å	1.33Å
C14	H14	sing	1.08Å	1.08Å
N15	O16	sing	1.42Å	1.32Å
O16	H16	sing	0.97Å	0.96Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C1	C2	114.3°	109.5°
N2	C1	H1A	108.9°	109.5°
N2	C1	H2A	108.8°	109.5°
C1	N2	C3	119.9°	119.0°
C1	N2	C7	120.3°	119.0°
C2	C1	H1A	107.7°	109.5°
C2	C1	H2A	108.7°	109.5°
C1	C2	C5	112.5°	109.5°
C1	C2	H3	109.1°	109.5°
C1	C2	H4	108.1°	109.4°
H1A	C1	H2A	108.4°	109.4°
C8	C5A	C4	122.4°	120.9°
C8	C5A	C6	119.7°	120.9°
C5A	C8	N9	119.0°	120.0°
C5A	C8	H8	118.8°	120.0°
C4	C5A	C6	117.9°	118.1°
C5A	C4	C3	119.4°	119.0°
C5A	C4	H4A	121.4°	120.5°
C5A	C6	C7	119.9°	119.0°
C5A	C6	H6A	121.4°	120.5°
N9	O10	H10A	104.1°	106.7°
O10	N9	C8	118.5°	120.0°
N9	C8	H8	122.2°	120.0°
C3	C4	H4A	119.1°	120.5°
C4	C3	N2	121.8°	120.9°
C4	C3	H3A	118.5°	119.5°
N2	C3	H3A	119.8°	119.5°
C3	N2	C7	119.6°	122.0°
N2	C7	C6	121.4°	120.9°
N2	C7	H7A	120.7°	119.5°
C6	C7	H7A	117.9°	119.6°
C7	C6	H6A	118.7°	120.4°
C5	C2	H3	109.7°	109.5°
C5	C2	H4	108.8°	109.5°
C2	C5	N8	112.9°	109.5°
C2	C5	H6	109.4°	109.4°
C2	C5	H7	108.5°	109.4°
H3	C2	H4	108.5°	109.5°
N8	C5	H6	109.2°	109.5°
N8	C5	H7	108.6°	109.5°
C5	N8	C9	119.6°	118.9°
C5	N8	C13	120.8°	119.0°
H6	C5	H7	108.2°	109.5°
C9	N8	C13	119.7°	122.1°
N8	C9	C10	121.3°	120.9°
N8	C9	H9	120.8°	119.6°
N8	C13	C12	121.2°	120.9°
N8	C13	H13	121.0°	119.6°
C10	C9	H9	117.9°	119.5°
C9	C10	C11	120.2°	119.0°
C9	C10	H10	119.3°	120.5°
C11	C10	H10	120.5°	120.5°
C10	C11	C12	117.3°	118.1°
C10	C11	C14	119.5°	120.9°
C12	C11	C14	123.1°	121.0°
C11	C12	C13	120.2°	119.0°
C11	C12	H12	121.5°	120.5°
C11	C14	N15	118.2°	120.1°
C11	C14	H14	119.1°	120.0°
C13	C12	H12	118.3°	120.5°
C12	C13	H13	117.8°	119.5°
N15	C14	H14	122.2°	120.0°
C14	N15	O16	120.1°	120.0°
N15	O16	H16	104.9°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C1	C2	H1A	121.1°	120.0°
N2	C1	C2	H2A	121.8°	120.0°
N2	C1	H1A	H2A	118.2°	120.0°
C1	N2	C3	C4	176.3°	179.7°
C1	N2	C3	C7	174.8°	179.9°
C1	N2	C3	H3A	3.3°	0.1°
C1	N2	C7	C6	175.9°	180.0°
C1	N2	C7	H7A	2.9°	0.0°
N2	C1	C2	C5	72.1°	180.0°
N2	C1	C2	H3	49.9°	60.0°
N2	C1	C2	H4	167.8°	60.0°
C2	C1	H1A	H2A	117.4°	120.0°
C2	C1	N2	C3	69.3°	89.9°
C2	C1	N2	C7	115.9°	90.0°
C1	C2	C5	H3	121.6°	120.0°
C1	C2	C5	H4	119.8°	120.0°
C1	C2	H3	H4	117.6°	119.9°
C1	C2	C5	N8	176.9°	180.0°
C1	C2	C5	H6	61.3°	60.0°
C1	C2	C5	H7	56.5°	60.0°
H1A	C1	N2	C3	170.3°	30.1°
H1A	C1	N2	C7	4.5°	150.0°
H1A	C1	C2	C5	49.0°	60.0°
H1A	C1	C2	H3	170.9°	NaN°
H1A	C1	C2	H4	71.2°	60.0°
H2A	C1	N2	C3	52.3°	150.0°
H2A	C1	N2	C7	122.5°	30.1°
H2A	C1	C2	C5	166.2°	60.0°
H2A	C1	C2	H3	71.9°	60.0°
H2A	C1	C2	H4	46.0°	180.0°
C8	C5A	C4	C6	178.5°	179.7°
C5A	C8	N9	O10	179.6°	180.0°
C5A	C8	N9	H8	179.3°	180.0°
C8	C5A	C4	C3	179.1°	179.8°
C8	C5A	C4	H4A	0.8°	0.3°
C8	C5A	C6	C7	179.5°	180.0°
C8	C5A	C6	H6A	1.9°	0.1°
C4	C5A	C8	N9	5.2°	0.3°
C4	C5A	C8	H8	174.1°	179.7°
C5A	C4	C3	H4A	179.9°	179.5°
C5A	C4	C3	N2	0.6°	0.5°
C5A	C4	C3	H3A	179.0°	179.7°
C4	C5A	C6	C7	1.0°	0.3°
C4	C5A	C6	H6A	179.6°	179.8°
C6	C5A	C8	N9	176.3°	179.9°
C6	C5A	C8	H8	4.3°	0.1°
C6	C5A	C4	C3	0.6°	0.6°
C6	C5A	C4	H4A	179.3°	179.9°
C5A	C6	C7	N2	0.2°	0.0°
C5A	C6	C7	H6A	178.6°	179.9°
C5A	C6	C7	H7A	179.0°	180.0°
O10	N9	C8	H8	1.0°	0.1°
H10A	O10	N9	C8	178.8°	180.0°
C4	C3	N2	H3A	179.7°	179.8°
C4	C3	N2	C7	1.5°	0.2°
H4A	C4	C3	N2	179.5°	180.0°
H4A	C4	C3	H3A	0.9°	0.2°
C3	N2	C7	C6	1.1°	0.0°
C3	N2	C7	H7A	177.8°	180.0°
H3A	C3	N2	C7	178.2°	180.0°
N2	C7	C6	H7A	178.9°	180.0°
N2	C7	C6	H6A	178.8°	180.0°
H7A	C7	C6	H6A	2.3°	0.0°
C5	C2	H3	H4	118.8°	120.0°
C2	C5	N8	H6	121.9°	120.0°
C2	C5	N8	H7	120.3°	119.9°
C2	C5	H6	H7	118.0°	119.9°
C2	C5	N8	C9	119.6°	90.3°
C2	C5	N8	C13	61.2°	90.0°
H3	C2	C5	N8	55.3°	60.0°
H3	C2	C5	H6	177.1°	180.0°
H3	C2	C5	H7	65.1°	60.0°
H4	C2	C5	N8	63.3°	60.0°
H4	C2	C5	H6	58.5°	60.0°
H4	C2	C5	H7	176.3°	180.0°
N8	C5	H6	H7	118.0°	120.1°
C5	N8	C9	C13	179.1°	179.7°
C5	N8	C9	C10	179.4°	179.8°
C5	N8	C9	H9	1.2°	0.3°
C5	N8	C13	C12	178.7°	180.0°
C5	N8	C13	H13	0.6°	0.1°
H6	C5	N8	C9	118.4°	149.8°
H6	C5	N8	C13	60.7°	30.0°
H7	C5	N8	C9	0.7°	29.7°
H7	C5	N8	C13	178.4°	150.0°
N8	C9	C10	H9	179.4°	179.5°
N8	C9	C10	C11	2.1°	0.5°
N8	C9	C10	H10	179.8°	179.7°
C9	N8	C13	C12	2.2°	0.3°
C9	N8	C13	H13	178.5°	179.8°
C13	N8	C9	C10	0.2°	0.5°
C13	N8	C9	H9	179.6°	180.0°
N8	C13	C12	C11	1.8°	0.1°
N8	C13	C12	H13	179.3°	179.9°
N8	C13	C12	H12	178.6°	180.0°
C9	C10	C11	H10	177.7°	179.8°
C9	C10	C11	C12	2.4°	0.3°
C9	C10	C11	C14	175.7°	179.8°
H9	C9	C10	C11	177.3°	180.0°
H9	C9	C10	H10	0.4°	0.2°
C10	C11	C12	C14	178.0°	180.0°
C10	C11	C12	C13	0.5°	0.1°
C10	C11	C12	H12	179.1°	180.0°
C10	C11	C14	N15	169.4°	0.0°
C10	C11	C14	H14	3.1°	180.0°
H10	C10	C11	C12	179.9°	180.0°
H10	C10	C11	C14	2.0°	0.0°
C11	C12	C13	H12	179.6°	179.9°
C11	C12	C13	H13	178.9°	180.0°
C12	C11	C14	N15	8.5°	180.0°
C12	C11	C14	H14	178.9°	0.0°
C14	C11	C12	C13	177.5°	180.0°
C14	C11	C12	H12	2.9°	0.1°
C11	C14	N15	H14	172.3°	180.0°
C11	C14	N15	O16	164.7°	180.0°
H12	C12	C13	H13	0.7°	0.1°
C14	N15	O16	H16	167.7°	180.0°
H14	C14	N15	O16	7.6°	0.0°

Definition date:	2001-07-02
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1PUW