PSB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.38Å	1.51Å
N1	HN11	sing	0.97Å	1.02Å
N1	HN12	sing	0.97Å	1.02Å
C2	N3	sing	1.33Å	1.40Å	Aromatic
C2	N11	doub	1.32Å	1.31Å	Aromatic
N3	C4	doub	1.32Å	1.40Å	Aromatic
C4	O5	sing	1.35Å	1.27Å
C4	C6	sing	1.41Å	1.52Å	Aromatic
O5	HO5	sing	0.97Å	0.95Å
C6	N7	doub	1.32Å	1.48Å	Aromatic
C6	C10	sing	1.43Å	1.44Å	Aromatic
N7	N8	sing	1.29Å	1.43Å	Aromatic
N8	N9	sing	1.29Å	1.41Å	Aromatic
N8	C12	sing	1.40Å	1.32Å	Aromatic
N9	C10	doub	1.32Å	1.11Å	Aromatic
C10	N11	sing	1.34Å	1.47Å	Aromatic
C12	C13	sing	1.39Å	1.43Å	Aromatic
C12	C17	doub	1.39Å	1.36Å	Aromatic
C13	C14	doub	1.38Å	1.42Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C14	C15	sing	1.38Å	1.43Å	Aromatic
C14	H14	sing	1.08Å	1.10Å
C15	C16	doub	1.40Å	1.46Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
C16	C17	sing	1.40Å	1.40Å	Aromatic
C16	C18	sing	1.48Å	1.42Å
C17	H17	sing	1.08Å	1.10Å
C18	O19	doub	1.21Å	1.30Å
C18	N20	sing	1.35Å	1.19Å
N20	C21	sing	1.47Å	1.51Å
N20	H20	sing	0.97Å	1.02Å
C21	C22	sing	1.51Å	1.53Å
C21	H211	sing	1.09Å	1.12Å
C21	H212	sing	1.09Å	1.12Å
C22	C23	doub	1.38Å	1.52Å	Aromatic
C22	C27	sing	1.39Å	1.31Å	Aromatic
C23	C24	sing	1.38Å	1.41Å	Aromatic
C23	H23	sing	1.08Å	1.10Å
C24	C25	doub	1.38Å	1.35Å	Aromatic
C24	H24	sing	1.08Å	1.10Å
C25	C26	sing	1.38Å	1.45Å	Aromatic
C25	H25	sing	1.08Å	1.10Å
C26	C27	doub	1.39Å	1.56Å	Aromatic
C26	H26	sing	1.08Å	1.10Å
C27	S28	sing	1.76Å	1.71Å
S28	C29	sing	1.76Å	1.71Å
C29	C30	doub	1.39Å	1.43Å	Aromatic
C29	C34	sing	1.39Å	1.40Å	Aromatic
C30	C31	sing	1.38Å	1.38Å	Aromatic
C30	H30	sing	1.08Å	1.10Å
C31	C32	doub	1.38Å	1.43Å	Aromatic
C31	H31	sing	1.08Å	1.10Å
C32	C33	sing	1.38Å	1.44Å	Aromatic
C32	H32	sing	1.08Å	1.10Å
C33	C34	doub	1.38Å	1.40Å	Aromatic
C33	H33	sing	1.08Å	1.10Å
C34	C35	sing	1.51Å	1.55Å
C35	O36	sing	1.43Å	1.41Å
C35	H351	sing	1.09Å	1.12Å
C35	H352	sing	1.09Å	1.12Å
O36	H36	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	HN11	119.9°	120.0°
C2	N1	HN12	108.4°	119.9°
N1	C2	N3	120.0°	118.6°
N1	C2	N11	120.5°	118.7°
HN11	N1	HN12	108.4°	120.0°
N3	C2	N11	119.5°	122.8°
C2	N3	C4	122.4°	121.5°
C2	N11	C10	123.1°	120.5°
N3	C4	O5	117.8°	120.7°
N3	C4	C6	121.0°	118.5°
O5	C4	C6	121.2°	120.8°
C4	O5	HO5	117.8°	106.8°
C4	C6	N7	140.0°	136.2°
C4	C6	C10	112.8°	118.2°
N7	C6	C10	107.2°	105.6°
C6	N7	N8	99.8°	108.6°
C6	C10	N9	109.7°	105.4°
C6	C10	N11	121.2°	118.6°
N7	N8	N9	106.8°	111.7°
N7	N8	C12	134.5°	124.2°
N9	N8	C12	118.6°	124.2°
N8	N9	C10	116.5°	108.8°
N8	C12	C13	118.3°	120.0°
N8	C12	C17	117.6°	120.0°
N9	C10	N11	129.0°	136.0°
C13	C12	C17	123.7°	120.0°
C12	C13	C14	118.0°	120.2°
C12	C13	H13	121.3°	119.9°
C12	C17	C16	120.6°	119.8°
C12	C17	H17	118.2°	120.1°
C14	C13	H13	120.8°	119.8°
C13	C14	C15	118.7°	120.2°
C13	C14	H14	120.4°	119.9°
C15	C14	H14	120.9°	119.9°
C14	C15	C16	121.0°	120.0°
C14	C15	H15	118.3°	120.0°
C16	C15	H15	120.7°	120.0°
C15	C16	C17	117.8°	119.8°
C15	C16	C18	123.6°	120.1°
C17	C16	C18	118.2°	120.1°
C16	C17	H17	121.2°	120.1°
C16	C18	O19	123.1°	120.0°
C16	C18	N20	115.1°	119.9°
O19	C18	N20	120.7°	120.0°
C18	N20	C21	108.7°	120.0°
C18	N20	H20	116.5°	120.1°
C21	N20	H20	134.8°	120.0°
N20	C21	C22	108.3°	109.5°
N20	C21	H211	112.7°	109.5°
N20	C21	H212	112.7°	109.4°
C22	C21	H211	112.7°	109.5°
C22	C21	H212	112.7°	109.5°
C21	C22	C23	107.7°	120.1°
C21	C22	C27	134.2°	120.0°
H211	C21	H212	97.7°	109.5°
C23	C22	C27	118.0°	119.9°
C22	C23	C24	122.9°	120.1°
C22	C23	H23	122.5°	119.9°
C22	C27	C26	118.8°	119.8°
C22	C27	S28	118.9°	120.1°
C24	C23	H23	114.6°	120.0°
C23	C24	C25	120.6°	120.2°
C23	C24	H24	121.8°	119.9°
C25	C24	H24	117.6°	119.9°
C24	C25	C26	119.2°	120.1°
C24	C25	H25	117.2°	120.0°
C26	C25	H25	123.7°	119.9°
C25	C26	C27	120.5°	119.9°
C25	C26	H26	116.0°	120.0°
C27	C26	H26	123.4°	120.1°
C26	C27	S28	122.2°	120.1°
C27	S28	C29	109.8°	100.0°
S28	C29	C30	120.4°	120.0°
S28	C29	C34	118.7°	120.1°
C30	C29	C34	120.9°	119.9°
C29	C30	C31	120.1°	119.9°
C29	C30	H30	121.8°	120.1°
C29	C34	C33	119.8°	119.9°
C29	C34	C35	119.4°	120.0°
C31	C30	H30	118.1°	120.1°
C30	C31	C32	119.6°	120.1°
C30	C31	H31	118.4°	119.9°
C32	C31	H31	121.9°	120.0°
C31	C32	C33	120.0°	120.2°
C31	C32	H32	119.7°	119.9°
C33	C32	H32	120.3°	119.9°
C32	C33	C34	119.6°	120.0°
C32	C33	H33	121.4°	120.0°
C34	C33	H33	119.0°	120.0°
C33	C34	C35	120.9°	120.0°
C34	C35	O36	111.4°	109.5°
C34	C35	H351	111.5°	109.5°
C34	C35	H352	111.5°	109.5°
O36	C35	H351	111.5°	109.4°
O36	C35	H352	111.5°	109.5°
C35	O36	H36	111.4°	106.8°
H351	C35	H352	98.8°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	HN11	HN12	125.2°	179.7°
N1	C2	N3	N11	177.5°	179.7°
N1	C2	N3	C4	177.5°	180.0°
N1	C2	N11	C10	178.1°	179.7°
HN11	N1	C2	N3	180.0°	0.0°
HN11	N1	C2	N11	2.5°	179.7°
HN12	N1	C2	N3	54.7°	179.7°
HN12	N1	C2	N11	127.8°	0.6°
C2	N3	C4	O5	179.4°	180.0°
C2	N3	C4	C6	0.4°	0.0°
N3	C2	N11	C10	0.6°	0.6°
N11	C2	N3	C4	0.0°	0.3°
C2	N11	C10	C6	1.5°	0.5°
C2	N11	C10	N9	178.8°	179.8°
N3	C4	O5	C6	179.1°	180.0°
N3	C4	O5	HO5	180.0°	90.1°
N3	C4	C6	N7	179.7°	179.9°
N3	C4	C6	C10	1.2°	0.0°
O5	C4	C6	N7	0.7°	0.1°
O5	C4	C6	C10	179.8°	180.0°
C6	C4	O5	HO5	1.0°	89.9°
C4	C6	N7	C10	179.1°	179.9°
C4	C6	N7	N8	179.8°	180.0°
C4	C6	C10	N9	179.4°	180.0°
C4	C6	C10	N11	1.7°	0.3°
C6	N7	N8	N9	0.7°	0.1°
C6	N7	N8	C12	176.1°	179.9°
N7	C6	C10	N9	1.2°	0.0°
N7	C6	C10	N11	178.9°	179.8°
C10	C6	N7	N8	1.1°	0.1°
C6	C10	N9	N8	0.7°	0.0°
C6	C10	N9	N11	177.5°	179.7°
N7	N8	N9	C12	177.4°	179.9°
N7	N8	N9	C10	0.1°	0.1°
N7	N8	C12	C13	79.5°	0.1°
N7	N8	C12	C17	107.7°	179.8°
N8	N9	C10	N11	178.2°	179.7°
N9	N8	C12	C13	97.1°	180.0°
N9	N8	C12	C17	75.7°	0.4°
C12	N8	N9	C10	177.4°	179.9°
N8	C12	C13	C17	172.4°	179.6°
N8	C12	C13	C14	169.0°	179.9°
N8	C12	C13	H13	11.0°	0.1°
N8	C12	C17	C16	167.7°	179.8°
N8	C12	C17	H17	12.3°	0.3°
C12	C13	C14	H13	180.0°	179.9°
C12	C13	C14	C15	0.9°	0.0°
C12	C13	C14	H14	179.1°	180.0°
C13	C12	C17	C16	4.7°	0.6°
C13	C12	C17	H17	175.3°	179.9°
C17	C12	C13	C14	3.3°	0.3°
C17	C12	C13	H13	176.7°	179.8°
C12	C17	C16	C15	1.6°	0.6°
C12	C17	C16	H17	180.0°	179.5°
C12	C17	C16	C18	172.4°	179.7°
C13	C14	C15	H14	180.0°	180.0°
C13	C14	C15	C16	3.7°	0.0°
C13	C14	C15	H15	176.3°	180.0°
H13	C13	C14	C15	179.1°	179.9°
H13	C13	C14	H14	0.9°	0.0°
C14	C15	C16	H15	180.0°	180.0°
C14	C15	C16	C17	2.5°	0.3°
C14	C15	C16	C18	176.2°	180.0°
H14	C14	C15	C16	176.3°	180.0°
H14	C14	C15	H15	3.7°	0.1°
C15	C16	C17	C18	174.0°	179.7°
C15	C16	C17	H17	178.3°	179.9°
C15	C16	C18	O19	175.2°	179.9°
C15	C16	C18	N20	17.1°	0.0°
H15	C15	C16	C17	177.5°	179.7°
H15	C15	C16	C18	3.9°	0.0°
C17	C16	C18	O19	11.2°	0.2°
C17	C16	C18	N20	156.5°	179.7°
C18	C16	C17	H17	7.7°	0.3°
C16	C18	O19	N20	167.0°	180.0°
C16	C18	N20	C21	161.6°	180.0°
C16	C18	N20	H20	18.4°	0.0°
O19	C18	N20	C21	6.4°	0.1°
O19	C18	N20	H20	173.5°	180.0°
C18	N20	C21	H20	179.9°	180.0°
C18	N20	C21	C22	147.0°	174.8°
C18	N20	C21	H211	21.7°	54.8°
C18	N20	C21	H212	87.8°	65.2°
N20	C21	C22	H211	125.3°	120.0°
N20	C21	C22	H212	125.3°	119.9°
N20	C21	H211	H212	118.6°	119.9°
N20	C21	C22	C23	49.5°	102.2°
N20	C21	C22	C27	135.1°	78.0°
H20	N20	C21	C22	33.1°	5.2°
H20	N20	C21	H211	158.4°	125.2°
H20	N20	C21	H212	92.2°	114.8°
C22	C21	H211	H212	118.6°	120.0°
C21	C22	C23	C27	176.3°	179.8°
C21	C22	C23	C24	174.7°	180.0°
C21	C22	C23	H23	5.3°	0.0°
C21	C22	C27	C26	173.9°	179.7°
C21	C22	C27	S28	4.4°	0.3°
H211	C21	C22	C23	75.8°	137.8°
H211	C21	C22	C27	99.6°	42.0°
H212	C21	C22	C23	174.7°	17.7°
H212	C21	C22	C27	9.8°	162.0°
C22	C23	C24	H23	180.0°	180.0°
C22	C23	C24	C25	0.8°	0.0°
C22	C23	C24	H24	179.2°	180.0°
C23	C22	C27	C26	1.2°	0.5°
C23	C22	C27	S28	179.5°	180.0°
C27	C22	C23	C24	1.6°	0.3°
C27	C22	C23	H23	178.4°	179.8°
C22	C27	C26	C25	0.1°	0.6°
C22	C27	C26	S28	178.2°	179.4°
C22	C27	C26	H26	179.9°	179.7°
C22	C27	S28	C29	154.0°	75.8°
C23	C24	C25	H24	180.0°	179.9°
C23	C24	C25	C26	0.4°	0.1°
C23	C24	C25	H25	179.6°	180.0°
H23	C23	C24	C25	179.2°	180.0°
H23	C23	C24	H24	0.8°	0.1°
C24	C25	C26	H25	180.0°	179.9°
C24	C25	C26	C27	0.8°	0.3°
C24	C25	C26	H26	179.3°	179.9°
H24	C24	C25	C26	179.7°	180.0°
H24	C24	C25	H25	0.4°	0.1°
C25	C26	C27	H26	180.0°	179.7°
C25	C26	C27	S28	178.3°	180.0°
H25	C25	C26	C27	179.2°	179.8°
H25	C25	C26	H26	0.8°	0.0°
C26	C27	S28	C29	27.8°	104.7°
H26	C26	C27	S28	1.7°	0.3°
C27	S28	C29	C30	40.6°	6.1°
C27	S28	C29	C34	140.0°	173.7°
S28	C29	C30	C34	179.5°	179.7°
S28	C29	C30	C31	179.5°	180.0°
S28	C29	C30	H30	0.5°	0.0°
S28	C29	C34	C33	179.3°	179.7°
S28	C29	C34	C35	0.5°	0.3°
C29	C30	C31	H30	180.0°	180.0°
C29	C30	C31	C32	0.3°	0.0°
C29	C30	C31	H31	179.7°	180.0°
C30	C29	C34	C33	0.1°	0.6°
C30	C29	C34	C35	180.0°	180.0°
C34	C29	C30	C31	0.0°	0.3°
C34	C29	C30	H30	180.0°	179.7°
C29	C34	C33	C32	0.1°	0.6°
C29	C34	C33	C35	179.9°	179.4°
C29	C34	C33	H33	180.0°	179.6°
C29	C34	C35	O36	88.9°	179.4°
C29	C34	C35	H351	145.8°	59.4°
C29	C34	C35	H352	36.4°	60.7°
C30	C31	C32	H31	179.9°	180.0°
C30	C31	C32	C33	0.5°	0.0°
C30	C31	C32	H32	179.4°	180.0°
H30	C30	C31	C32	179.6°	180.0°
H30	C30	C31	H31	0.3°	0.1°
C31	C32	C33	H32	180.0°	180.0°
C31	C32	C33	C34	0.4°	0.3°
C31	C32	C33	H33	179.7°	179.9°
H31	C31	C32	C33	179.5°	180.0°
H31	C31	C32	H32	0.5°	0.0°
C32	C33	C34	H33	179.9°	179.7°
C32	C33	C34	C35	179.8°	180.0°
H32	C32	C33	C34	179.6°	179.7°
H32	C32	C33	H33	0.4°	0.1°
C33	C34	C35	O36	91.2°	0.0°
C33	C34	C35	H351	34.1°	120.0°
C33	C34	C35	H352	143.5°	120.0°
H33	C33	C34	C35	0.1°	0.3°
C34	C35	O36	H351	125.3°	120.0°
C34	C35	O36	H352	125.3°	120.0°
C34	C35	H351	H352	117.4°	120.1°
C34	C35	O36	H36	180.0°	179.9°
O36	C35	H351	H352	117.4°	120.0°
H351	C35	O36	H36	54.7°	60.0°
H352	C35	O36	H36	54.7°	59.9°

Definition date:	2003-12-22
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1RSD