6UM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C9	doub	1.39Å	1.37Å	Aromatic
C8	C7	sing	1.38Å	1.38Å	Aromatic
C9	C10	sing	1.38Å	1.39Å	Aromatic
C7	N4	doub	1.32Å	1.34Å	Aromatic
C10	C6	doub	1.39Å	1.40Å	Aromatic
C14	C13	doub	1.38Å	1.38Å	Aromatic
C14	C15	sing	1.38Å	1.38Å	Aromatic
C13	C12	sing	1.38Å	1.39Å	Aromatic
N4	C6	sing	1.32Å	1.35Å	Aromatic
C6	N3	sing	1.39Å	1.40Å
C15	C16	doub	1.38Å	1.39Å	Aromatic
C12	C11	doub	1.39Å	1.40Å	Aromatic
N3	C5	sing	1.35Å	1.38Å
C16	C11	sing	1.39Å	1.40Å	Aromatic
C11	C	sing	1.48Å	1.48Å
N2	C5	sing	1.35Å	1.37Å
N2	C1	sing	1.40Å	1.42Å
C5	O	doub	1.22Å	1.22Å
C	C1	doub	1.40Å	1.40Å	Aromatic
C	N1	sing	1.33Å	1.34Å	Aromatic
C1	C2	sing	1.39Å	1.40Å	Aromatic
N1	C3	doub	1.32Å	1.34Å	Aromatic
C2	N	doub	1.32Å	1.35Å	Aromatic
C3	N	sing	1.32Å	1.34Å	Aromatic
C3	C4	sing	1.51Å	1.50Å
C2	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C9	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
C12	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.08Å	1.08Å
N3	H8	sing	0.97Å	1.00Å
C8	H9	sing	1.08Å	1.08Å
N2	H10	sing	0.97Å	1.00Å
C4	H11	sing	1.09Å	1.10Å
C4	H12	sing	1.09Å	1.10Å
C4	H13	sing	1.09Å	1.10Å
C16	H14	sing	1.08Å	1.08Å
C14	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C8	C7	118.1°	119.3°
C8	C9	C10	120.1°	118.5°
C8	C9	H3	120.0°	120.8°
C9	C8	H9	120.9°	120.4°
C8	C7	N4	123.7°	120.8°
C8	C7	H2	118.1°	119.6°
C7	C8	H9	121.0°	120.3°
C9	C10	C6	118.1°	119.1°
C10	C9	H3	120.0°	120.7°
C9	C10	H4	121.0°	120.5°
C7	N4	C6	117.6°	121.7°
N4	C7	H2	118.1°	119.6°
C10	C6	N4	122.5°	120.6°
C10	C6	N3	118.2°	119.7°
C6	C10	H4	121.0°	120.4°
C13	C14	C15	119.8°	120.2°
C14	C13	C12	120.2°	120.1°
C14	C13	H6	119.9°	119.9°
C13	C14	H15	120.1°	119.9°
C14	C15	C16	120.2°	120.1°
C14	C15	H7	119.9°	119.9°
C15	C14	H15	120.1°	119.9°
C13	C12	C11	120.6°	119.9°
C13	C12	H5	119.7°	120.1°
C12	C13	H6	119.9°	120.0°
N4	C6	N3	119.3°	119.7°
C6	N3	C5	133.0°	120.0°
C6	N3	H8	113.5°	120.0°
C15	C16	C11	120.5°	119.8°
C16	C15	H7	119.9°	119.9°
C15	C16	H14	119.7°	120.1°
C12	C11	C16	118.6°	119.8°
C12	C11	C	120.8°	120.1°
C11	C12	H5	119.7°	120.0°
N3	C5	N2	114.5°	120.0°
N3	C5	O	122.7°	120.0°
C5	N3	H8	113.5°	120.0°
C16	C11	C	120.6°	120.1°
C11	C16	H14	119.7°	120.1°
C11	C	C1	124.6°	120.6°
C11	C	N1	115.4°	120.6°
C5	N2	C1	128.1°	120.0°
N2	C5	O	122.8°	120.0°
C5	N2	H10	116.0°	120.0°
N2	C1	C	116.4°	120.9°
N2	C1	C2	125.4°	121.0°
C1	N2	H10	116.0°	120.1°
C1	C	N1	120.1°	118.8°
C	C1	C2	118.1°	118.1°
C	N1	C3	118.3°	120.8°
C1	C2	N	121.4°	119.1°
C1	C2	H1	119.3°	120.4°
N1	C3	N	125.8°	122.1°
N1	C3	C4	116.9°	119.0°
C2	N	C3	116.4°	121.1°
N	C2	H1	119.3°	120.5°
N	C3	C4	117.2°	118.9°
C3	C4	H11	109.5°	109.5°
C3	C4	H12	109.5°	109.5°
C3	C4	H13	109.5°	109.5°
H11	C4	H12	109.4°	109.5°
H11	C4	H13	109.4°	109.4°
H12	C4	H13	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C8	C7	H9	180.0°	180.0°
C8	C9	C10	H3	180.0°	180.0°
C9	C8	C7	N4	0.0°	0.0°
C8	C9	C10	C6	0.9°	0.0°
C9	C8	C7	H2	180.0°	180.0°
C8	C9	C10	H4	179.1°	180.0°
C7	C8	C9	C10	0.6°	0.0°
C8	C7	N4	H2	180.0°	180.0°
C8	C7	N4	C6	0.4°	0.0°
C7	C8	C9	H3	179.4°	179.9°
C9	C10	C6	H4	180.0°	180.0°
C9	C10	C6	N4	0.5°	0.0°
C9	C10	C6	N3	179.7°	180.0°
C10	C9	C8	H9	179.4°	180.0°
C7	N4	C6	C10	0.1°	0.0°
C7	N4	C6	N3	179.1°	180.0°
N4	C7	C8	H9	180.0°	180.0°
C10	C6	N4	N3	179.1°	180.0°
C10	C6	N3	C5	177.9°	174.7°
C6	C10	C9	H3	179.1°	179.9°
C10	C6	N3	H8	2.1°	5.3°
C13	C14	C15	H15	180.0°	179.7°
C14	C13	C12	H6	180.0°	180.0°
C13	C14	C15	C16	0.2°	0.2°
C14	C13	C12	C11	0.2°	0.0°
C14	C13	C12	H5	179.7°	179.9°
C13	C14	C15	H7	179.7°	179.7°
C15	C14	C13	C12	0.5°	0.3°
C14	C15	C16	H7	180.0°	180.0°
C14	C15	C16	C11	0.3°	0.1°
C15	C14	C13	H6	179.5°	179.7°
C14	C15	C16	H14	179.7°	180.0°
C13	C12	C11	H5	180.0°	179.9°
C13	C12	C11	C16	0.3°	0.3°
C13	C12	C11	C	179.9°	180.0°
C12	C13	C14	H15	179.5°	179.9°
N4	C6	N3	C5	3.0°	5.3°
C6	N4	C7	H2	179.6°	180.0°
N4	C6	C10	H4	179.4°	180.0°
N4	C6	N3	H8	177.0°	174.7°
C6	N3	C5	H8	180.0°	180.0°
C6	N3	C5	N2	3.6°	175.0°
C6	N3	C5	O	176.2°	5.1°
N3	C6	C10	H4	0.3°	0.0°
C15	C16	C11	C12	0.5°	0.4°
C15	C16	C11	H14	180.0°	179.9°
C15	C16	C11	C	179.9°	180.0°
C16	C15	C14	H15	179.8°	179.9°
C12	C11	C16	C	179.6°	179.7°
C12	C11	C	C1	77.6°	137.3°
C12	C11	C	N1	104.5°	42.7°
C11	C12	C13	H6	179.8°	180.0°
C12	C11	C16	H14	179.5°	179.8°
N3	C5	N2	O	179.8°	180.0°
N3	C5	N2	C1	179.2°	175.6°
N3	C5	N2	H10	0.8°	4.3°
C16	C11	C	C1	102.0°	42.3°
C16	C11	C	N1	75.9°	137.7°
C16	C11	C12	H5	179.7°	179.6°
C11	C16	C15	H7	179.8°	179.9°
C11	C	C1	N2	2.9°	0.1°
C11	C	C1	N1	177.9°	180.0°
C11	C	C1	C2	179.7°	180.0°
C11	C	N1	C3	177.5°	180.0°
C	C11	C12	H5	0.1°	0.0°
C	C11	C16	H14	0.1°	0.1°
C5	N2	C1	H10	180.0°	180.0°
C5	N2	C1	C	179.7°	154.1°
C5	N2	C1	C2	3.2°	25.9°
N2	C5	N3	H8	176.4°	5.0°
C1	N2	C5	O	1.0°	4.4°
N2	C1	C	C2	176.8°	180.0°
N2	C1	C	N1	175.0°	180.0°
N2	C1	C2	N	174.5°	180.0°
N2	C1	C2	H1	5.5°	0.2°
O	C5	N3	H8	3.8°	175.0°
O	C5	N2	H10	179.0°	175.7°
C1	C	N1	C3	0.5°	0.0°
C	C1	C2	N	2.0°	0.0°
C	C1	C2	H1	178.0°	179.8°
C	C1	N2	H10	0.3°	25.8°
N1	C	C1	C2	1.8°	0.0°
C	N1	C3	N	3.0°	0.1°
C	N1	C3	C4	172.6°	180.0°
C1	C2	N	H1	180.0°	179.8°
C1	C2	N	C3	0.2°	0.1°
C2	C1	N2	H10	176.8°	154.1°
N1	C3	N	C2	2.8°	0.1°
N1	C3	N	C4	175.7°	179.9°
N1	C3	C4	H11	0.0°	90.0°
N1	C3	C4	H12	120.0°	30.1°
N1	C3	C4	H13	120.0°	150.0°
C2	N	C3	C4	172.8°	180.0°
C3	N	C2	H1	179.8°	179.7°
N	C3	C4	H11	176.1°	89.9°
N	C3	C4	H12	56.1°	150.0°
N	C3	C4	H13	64.0°	30.1°
C3	C4	H11	H12	120.0°	120.0°
C3	C4	H11	H13	120.0°	120.0°
C3	C4	H12	H13	120.0°	120.0°
H2	C7	C8	H9	0.0°	0.1°
H3	C9	C10	H4	0.9°	0.1°
H3	C9	C8	H9	0.6°	0.1°
H5	C12	C13	H6	0.3°	0.1°
H6	C13	C14	H15	0.5°	0.1°
H7	C15	C16	H14	0.2°	0.1°
H7	C15	C14	H15	0.3°	0.1°
H11	C4	H12	H13	120.0°	119.9°

Release date:	2016-12-28
Definition date:	2016-06-27
Last modified:	2016-12-22
Release status:	REL
Processing site:	RCSB
Derived from:	5KMO