WEJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N12	N13	sing	1.28Å	1.34Å	Aromatic
N12	C11	sing	1.35Å	1.33Å	Aromatic
N13	C15	doub	1.32Å	1.37Å	Aromatic
C11	C5	sing	1.51Å	1.48Å
C11	C10	doub	1.35Å	1.43Å	Aromatic
O9	C16	doub	1.22Å	1.23Å
C15	C16	sing	1.48Å	1.46Å
C15	C10	sing	1.42Å	1.39Å	Aromatic
C16	N41	sing	1.35Å	1.39Å
C10	C1	sing	1.51Å	1.48Å
N41	C40	sing	1.40Å	1.41Å
C40	C38	doub	1.39Å	1.40Å	Aromatic
C40	C17	sing	1.39Å	1.39Å	Aromatic
C38	C37	sing	1.40Å	1.40Å	Aromatic
C17	N19	doub	1.32Å	1.36Å	Aromatic
C37	C35	sing	1.46Å	1.42Å	Aromatic
C37	C20	doub	1.41Å	1.38Å	Aromatic
C35	C34	doub	1.36Å	1.39Å	Aromatic
N19	C20	sing	1.33Å	1.34Å	Aromatic
C20	N21	sing	1.38Å	1.37Å	Aromatic
C34	N21	sing	1.38Å	1.38Å	Aromatic
C34	C33	sing	1.48Å	1.47Å
C33	C23	doub	1.40Å	1.40Å	Aromatic
C33	C31	sing	1.40Å	1.40Å	Aromatic
C23	C25	sing	1.38Å	1.40Å	Aromatic
C31	C29	doub	1.38Å	1.40Å	Aromatic
C25	C27	doub	1.38Å	1.39Å	Aromatic
C29	C27	sing	1.38Å	1.39Å	Aromatic
C5	H1	sing	1.09Å	1.10Å
C5	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
N12	H4	sing	0.97Å	1.00Å
C17	H5	sing	1.08Å	1.08Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C23	H9	sing	1.08Å	1.08Å
C25	H10	sing	1.08Å	1.08Å
C27	H11	sing	1.08Å	1.08Å
C29	H12	sing	1.08Å	1.08Å
C31	H13	sing	1.08Å	1.08Å
C35	H14	sing	1.08Å	1.08Å
C38	H15	sing	1.08Å	1.08Å
N21	H16	sing	0.97Å	1.00Å
N41	H17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N13	N12	C11	103.5°	110.2°
N12	N13	C15	115.0°	110.1°
N13	N12	H4	128.3°	124.8°
N12	C11	C5	119.9°	126.4°
N12	C11	C10	112.2°	107.3°
C11	N12	H4	128.3°	125.0°
N13	C15	C16	121.8°	126.5°
N13	C15	C10	104.6°	107.0°
C5	C11	C10	127.9°	126.3°
C11	C5	H1	109.5°	109.5°
C11	C5	H2	109.5°	109.5°
C11	C5	H3	109.5°	109.4°
C11	C10	C15	104.7°	105.5°
C11	C10	C1	126.1°	127.3°
O9	C16	C15	120.4°	120.0°
O9	C16	N41	124.7°	120.1°
C16	C15	C10	133.6°	126.5°
C15	C16	N41	114.9°	120.0°
C15	C10	C1	129.3°	127.2°
C16	N41	C40	126.8°	120.0°
C16	N41	H17	116.6°	120.0°
C10	C1	H6	109.5°	109.5°
C10	C1	H7	109.5°	109.5°
C10	C1	H8	109.4°	109.5°
N41	C40	C38	116.9°	120.4°
N41	C40	C17	125.5°	120.3°
C40	N41	H17	116.6°	120.0°
C38	C40	C17	117.6°	119.3°
C40	C38	C37	118.6°	118.0°
C40	C38	H15	120.7°	121.0°
C40	C17	N19	126.1°	121.5°
C40	C17	H5	116.9°	119.3°
C38	C37	C35	136.0°	134.0°
C38	C37	C20	117.3°	119.5°
C37	C38	H15	120.7°	121.0°
C17	N19	C20	113.3°	121.8°
N19	C17	H5	117.0°	119.2°
C35	C37	C20	106.7°	106.5°
C37	C35	C34	108.7°	106.8°
C37	C35	H14	125.6°	126.6°
C37	C20	N19	127.0°	120.0°
C37	C20	N21	107.9°	107.2°
C35	C34	N21	106.0°	109.6°
C35	C34	C33	130.4°	125.2°
C34	C35	H14	125.7°	126.6°
N19	C20	N21	125.0°	132.8°
C20	N21	C34	110.6°	109.9°
C20	N21	H16	124.7°	125.1°
N21	C34	C33	123.6°	125.2°
C34	N21	H16	124.7°	125.1°
C34	C33	C23	120.4°	120.1°
C34	C33	C31	121.5°	120.2°
C23	C33	C31	118.0°	119.7°
C33	C23	C25	121.0°	119.8°
C33	C23	H9	119.5°	120.1°
C33	C31	C29	120.9°	119.9°
C33	C31	H13	119.6°	120.0°
C23	C25	C27	120.1°	120.2°
C25	C23	H9	119.5°	120.1°
C23	C25	H10	119.9°	119.9°
C31	C29	C27	120.2°	120.1°
C31	C29	H12	119.9°	119.9°
C29	C31	H13	119.5°	120.1°
C25	C27	C29	119.7°	120.3°
C27	C25	H10	119.9°	119.9°
C25	C27	H11	120.2°	119.9°
C29	C27	H11	120.1°	119.9°
C27	C29	H12	119.9°	119.9°
H1	C5	H2	109.4°	109.4°
H1	C5	H3	109.5°	109.5°
H2	C5	H3	109.4°	109.5°
H6	C1	H7	109.5°	109.4°
H6	C1	H8	109.5°	109.4°
H7	C1	H8	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N13	N12	C11	H4	180.0°	180.0°
N13	N12	C11	C5	180.0°	180.0°
N13	N12	C11	C10	0.0°	0.2°
N12	N13	C15	C16	180.0°	179.8°
N12	N13	C15	C10	0.0°	0.1°
C11	N12	N13	C15	0.1°	0.0°
N12	C11	C5	C10	179.9°	179.8°
N12	C11	C10	C15	0.0°	0.2°
N12	C11	C10	C1	180.0°	180.0°
N12	C11	C5	H1	90.0°	90.0°
N12	C11	C5	H2	150.0°	150.1°
N12	C11	C5	H3	30.0°	30.1°
N13	C15	C10	C11	0.0°	0.2°
N13	C15	C16	O9	42.3°	180.0°
N13	C15	C16	C10	179.9°	179.9°
N13	C15	C16	N41	137.8°	0.1°
N13	C15	C10	C1	180.0°	180.0°
C15	N13	N12	H4	179.9°	180.0°
C5	C11	C10	C15	180.0°	180.0°
C5	C11	C10	C1	0.0°	0.2°
C11	C5	H1	H2	120.0°	120.0°
C11	C5	H1	H3	120.0°	120.0°
C11	C5	H2	H3	120.0°	120.0°
C5	C11	N12	H4	0.0°	0.0°
C11	C10	C15	C16	179.9°	179.7°
C11	C10	C15	C1	180.0°	179.8°
C10	C11	C5	H1	89.9°	89.8°
C10	C11	C5	H2	30.0°	30.2°
C10	C11	C5	H3	150.0°	150.2°
C10	C11	N12	H4	180.0°	179.8°
C11	C10	C1	H6	90.0°	89.7°
C11	C10	C1	H7	150.0°	30.3°
C11	C10	C1	H8	30.0°	150.3°
O9	C16	C15	N41	179.9°	179.9°
O9	C16	C15	C10	137.6°	0.1°
O9	C16	N41	C40	0.0°	4.7°
O9	C16	N41	H17	180.0°	175.4°
C16	C15	C10	C1	0.1°	0.0°
C15	C16	N41	C40	179.9°	175.4°
C15	C16	N41	H17	0.1°	4.6°
C10	C15	C16	N41	42.3°	180.0°
C15	C10	C1	H6	90.0°	90.0°
C15	C10	C1	H7	30.0°	150.0°
C15	C10	C1	H8	150.0°	30.0°
C16	N41	C40	H17	180.0°	179.9°
C16	N41	C40	C38	34.5°	35.0°
C16	N41	C40	C17	145.2°	145.0°
C10	C1	H6	H7	120.0°	120.0°
C10	C1	H6	H8	120.0°	120.1°
C10	C1	H7	H8	120.0°	120.1°
N41	C40	C38	C17	179.7°	180.0°
N41	C40	C38	C37	179.9°	179.4°
N41	C40	C17	N19	179.9°	180.0°
N41	C40	C17	H5	0.1°	0.3°
N41	C40	C38	H15	0.1°	0.6°
C40	C38	C37	H15	180.0°	180.0°
C38	C40	C17	N19	0.2°	0.0°
C40	C38	C37	C35	180.0°	180.0°
C40	C38	C37	C20	0.1°	0.8°
C38	C40	C17	H5	179.9°	179.8°
C38	C40	N41	H17	145.5°	145.1°
C17	C40	C38	C37	0.2°	0.5°
C40	C17	N19	H5	180.0°	179.8°
C40	C17	N19	C20	0.1°	0.3°
C17	C40	C38	H15	179.8°	179.4°
C17	C40	N41	H17	34.8°	34.9°
C38	C37	C35	C20	180.0°	179.3°
C38	C37	C35	C34	180.0°	179.3°
C38	C37	C20	N19	0.0°	0.6°
C38	C37	C20	N21	180.0°	179.4°
C38	C37	C35	H14	0.0°	0.8°
C17	N19	C20	C37	0.0°	0.0°
C17	N19	C20	N21	180.0°	180.0°
C37	C35	C34	H14	180.0°	179.9°
C35	C37	C20	N19	180.0°	179.9°
C35	C37	C20	N21	0.0°	0.0°
C37	C35	C34	N21	0.0°	0.0°
C37	C35	C34	C33	180.0°	180.0°
C35	C37	C38	H15	0.1°	0.0°
C20	C37	C35	C34	0.0°	0.0°
C37	C20	N19	N21	180.0°	180.0°
C37	C20	N21	C34	0.0°	0.0°
C20	C37	C35	H14	180.0°	180.0°
C20	C37	C38	H15	179.9°	179.2°
C37	C20	N21	H16	180.0°	180.0°
C35	C34	N21	C20	0.0°	0.0°
C35	C34	N21	C33	180.0°	180.0°
C35	C34	C33	C23	10.9°	180.0°
C35	C34	C33	C31	169.0°	0.4°
C35	C34	N21	H16	180.0°	179.9°
N19	C20	N21	C34	180.0°	180.0°
C20	N19	C17	H5	179.9°	180.0°
N19	C20	N21	H16	0.0°	0.0°
C20	N21	C34	H16	180.0°	179.9°
C20	N21	C34	C33	180.0°	180.0°
N21	C34	C33	C23	169.1°	0.0°
N21	C34	C33	C31	11.0°	179.5°
N21	C34	C35	H14	180.0°	180.0°
C34	C33	C23	C31	179.9°	179.5°
C34	C33	C23	C25	179.9°	180.0°
C34	C33	C31	C29	180.0°	180.0°
C34	C33	C23	H9	0.1°	0.2°
C34	C33	C31	H13	0.0°	0.2°
C33	C34	C35	H14	0.0°	0.1°
C33	C34	N21	H16	0.0°	0.0°
C33	C23	C25	H9	180.0°	179.7°
C23	C33	C31	C29	0.1°	0.5°
C33	C23	C25	C27	0.0°	0.3°
C33	C23	C25	H10	180.0°	179.8°
C23	C33	C31	H13	179.9°	179.7°
C31	C33	C23	C25	0.0°	0.5°
C33	C31	C29	H13	180.0°	179.8°
C33	C31	C29	C27	0.1°	0.2°
C31	C33	C23	H9	180.0°	179.8°
C33	C31	C29	H12	179.9°	179.7°
C23	C25	C27	H10	180.0°	179.9°
C23	C25	C27	C29	0.0°	0.0°
C23	C25	C27	H11	180.0°	179.9°
C31	C29	C27	C25	0.1°	0.0°
C31	C29	C27	H12	180.0°	180.0°
C31	C29	C27	H11	179.9°	179.9°
C25	C27	C29	H11	180.0°	179.9°
C27	C25	C23	H9	180.0°	180.0°
C25	C27	C29	H12	179.9°	180.0°
C29	C27	C25	H10	180.0°	179.9°
C27	C29	C31	H13	179.9°	180.0°
H1	C5	H2	H3	120.0°	120.0°
H6	C1	H7	H8	120.0°	119.9°
H9	C23	C25	H10	0.0°	0.1°
H10	C25	C27	H11	0.0°	0.0°
H11	C27	C29	H12	0.1°	0.1°
H12	C29	C31	H13	0.1°	0.1°

Release date:	2021-07-07
Definition date:	2020-10-21
Last modified:	2021-07-02
Release status:	REL
Processing site:	RCSB
Derived from:	7KHK