4CW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N24	C25	doub	1.33Å	1.34Å	Aromatic
N24	C22	sing	1.32Å	1.36Å	Aromatic
N26	C25	sing	1.37Å	1.43Å	Aromatic
N26	C28	sing	1.36Å	1.41Å	Aromatic
C25	C31	sing	1.41Å	1.41Å	Aromatic
C22	N21	doub	1.32Å	1.35Å	Aromatic
C28	N30	doub	1.30Å	1.35Å	Aromatic
C31	N30	sing	1.36Å	1.42Å	Aromatic
C31	C20	doub	1.41Å	1.39Å	Aromatic
N21	C20	sing	1.33Å	1.33Å	Aromatic
C20	N18	sing	1.38Å	1.41Å
O08	S07	doub	1.42Å	1.46Å
N18	C17	sing	1.40Å	1.41Å
C32	C17	doub	1.39Å	1.41Å	Aromatic
C32	C10	sing	1.38Å	1.41Å	Aromatic
N05	S07	sing	1.66Å	1.73Å
N05	C01	sing	1.47Å	1.48Å
C17	C15	sing	1.39Å	1.39Å	Aromatic
S07	C10	sing	1.76Å	1.80Å
S07	O09	doub	1.42Å	1.49Å
C10	C11	doub	1.38Å	1.40Å	Aromatic
C15	C13	doub	1.38Å	1.40Å	Aromatic
C11	C13	sing	1.38Å	1.40Å	Aromatic
N18	H1	sing	0.97Å	1.00Å
C13	H2	sing	1.08Å	1.08Å
C11	H3	sing	1.08Å	1.08Å
C28	H4	sing	1.08Å	1.08Å
C32	H5	sing	1.08Å	1.08Å
C01	H6	sing	1.09Å	1.10Å
C01	H7	sing	1.09Å	1.10Å
C01	H8	sing	1.09Å	1.10Å
N05	H9	sing	0.97Å	1.00Å
C15	H10	sing	1.08Å	1.08Å
C22	H11	sing	1.08Å	1.08Å
N26	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C25	N24	C22	121.5°	120.7°
N24	C25	N26	134.8°	135.0°
N24	C25	C31	118.6°	119.1°
N24	C22	N21	120.3°	122.5°
N24	C22	H11	119.8°	118.8°
C25	N26	C28	106.7°	107.4°
N26	C25	C31	106.6°	106.0°
C25	N26	H12	126.7°	126.3°
N26	C28	N30	110.4°	110.0°
N26	C28	H4	124.8°	124.9°
C28	N26	H12	126.7°	126.3°
C25	C31	N30	108.6°	107.2°
C25	C31	C20	118.0°	118.2°
C22	N21	C20	119.7°	121.2°
N21	C22	H11	119.8°	118.7°
C28	N30	C31	107.8°	109.4°
N30	C28	H4	124.8°	125.1°
N30	C31	C20	133.3°	134.7°
C31	C20	N21	121.8°	118.4°
C31	C20	N18	116.5°	120.8°
N21	C20	N18	121.7°	120.8°
C20	N18	C17	125.0°	120.0°
C20	N18	H1	117.5°	120.0°
O08	S07	N05	105.5°	106.4°
O08	S07	C10	105.4°	106.4°
O08	S07	O09	114.9°	123.2°
N18	C17	C32	124.8°	120.0°
N18	C17	C15	114.2°	120.1°
C17	N18	H1	117.5°	120.0°
C17	C32	C10	116.2°	119.9°
C32	C17	C15	121.0°	119.9°
C17	C32	H5	121.9°	120.0°
C32	C10	S07	119.1°	119.9°
C32	C10	C11	124.2°	120.1°
C10	C32	H5	121.9°	120.1°
S07	N05	C01	109.8°	120.0°
N05	S07	C10	106.7°	107.2°
N05	S07	O09	113.8°	106.4°
S07	N05	H9	109.4°	119.9°
N05	C01	H6	109.5°	109.5°
N05	C01	H7	109.5°	109.5°
N05	C01	H8	109.5°	109.4°
C01	N05	H9	109.4°	120.0°
C17	C15	C13	121.0°	119.9°
C17	C15	H10	119.5°	120.0°
C10	S07	O09	110.0°	106.4°
S07	C10	C11	116.6°	119.9°
C10	C11	C13	117.8°	120.2°
C10	C11	H3	121.1°	120.0°
C15	C13	C11	119.8°	120.0°
C15	C13	H2	120.1°	120.0°
C13	C15	H10	119.5°	120.0°
C11	C13	H2	120.1°	120.0°
C13	C11	H3	121.1°	119.8°
H6	C01	H7	109.5°	109.5°
H6	C01	H8	109.5°	109.5°
H7	C01	H8	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N24	C25	N26	C31	179.6°	179.9°
N24	C25	N26	C28	179.4°	180.0°
C25	N24	C22	N21	1.7°	0.0°
N24	C25	C31	N30	179.6°	180.0°
N24	C25	C31	C20	1.4°	0.6°
C25	N24	C22	H11	178.3°	180.0°
N24	C25	N26	H12	0.6°	0.1°
C22	N24	C25	N26	180.0°	179.8°
C22	N24	C25	C31	0.4°	0.3°
N24	C22	N21	H11	180.0°	180.0°
N24	C22	N21	C20	2.8°	0.0°
C25	N26	C28	H12	180.0°	179.9°
C25	N26	C28	N30	1.2°	0.0°
N26	C25	C31	N30	0.7°	0.1°
N26	C25	C31	C20	178.9°	179.5°
C25	N26	C28	H4	178.8°	180.0°
C28	N26	C25	C31	0.3°	0.1°
N26	C28	N30	H4	180.0°	180.0°
N26	C28	N30	C31	1.6°	0.0°
C25	C31	N30	C28	1.4°	0.0°
C25	C31	N30	C20	177.9°	179.3°
C25	C31	C20	N21	0.3°	0.6°
C25	C31	C20	N18	178.7°	179.7°
C31	C25	N26	H12	179.7°	180.0°
C22	N21	C20	C31	1.9°	0.3°
C22	N21	C20	N18	179.3°	180.0°
C28	N30	C31	C20	179.3°	179.3°
N30	C28	N26	H12	178.8°	180.0°
N30	C31	C20	N21	178.0°	179.8°
N30	C31	C20	N18	1.0°	0.5°
C31	N30	C28	H4	178.4°	180.0°
C31	C20	N21	N18	178.9°	179.8°
C31	C20	N18	C17	169.8°	174.5°
C31	C20	N18	H1	10.2°	5.8°
N21	C20	N18	C17	11.3°	5.7°
N21	C20	N18	H1	168.7°	174.0°
C20	N21	C22	H11	177.2°	180.0°
C20	N18	C17	H1	180.0°	179.8°
C20	N18	C17	C32	9.5°	146.9°
C20	N18	C17	C15	172.8°	32.9°
O08	S07	C10	C32	71.8°	23.8°
O08	S07	N05	C10	111.7°	113.5°
O08	S07	N05	O09	126.8°	133.0°
O08	S07	N05	C01	178.2°	48.5°
O08	S07	C10	O09	124.4°	133.0°
O08	S07	C10	C11	105.1°	156.5°
O08	S07	N05	H9	61.7°	131.5°
N18	C17	C32	C15	177.6°	179.8°
N18	C17	C32	C10	177.3°	180.0°
N18	C17	C15	C13	177.1°	180.0°
N18	C17	C32	H5	2.8°	0.0°
N18	C17	C15	H10	2.9°	0.0°
C17	C32	C10	H5	180.0°	180.0°
C17	C32	C10	S07	177.5°	179.8°
C17	C32	C10	C11	0.8°	0.0°
C32	C17	C15	C13	0.7°	0.2°
C32	C17	N18	H1	170.5°	32.9°
C32	C17	C15	H10	179.3°	179.8°
C32	C10	S07	N05	40.0°	89.7°
C10	C32	C17	C15	0.3°	0.2°
C32	C10	S07	C11	176.9°	179.8°
C32	C10	S07	O09	163.8°	156.7°
C32	C10	C11	C13	1.6°	0.3°
C32	C10	C11	H3	178.3°	180.0°
S07	N05	C01	H9	120.1°	179.9°
N05	S07	C10	O09	123.8°	113.5°
N05	S07	C10	C11	143.1°	90.0°
S07	N05	C01	H6	180.0°	60.0°
S07	N05	C01	H7	60.0°	180.0°
S07	N05	C01	H8	60.0°	60.0°
C01	N05	S07	C10	66.5°	65.0°
C01	N05	S07	O09	54.9°	178.6°
N05	C01	H6	H7	120.0°	120.0°
N05	C01	H6	H8	120.0°	120.0°
N05	C01	H7	H8	120.0°	119.9°
C17	C15	C13	H10	180.0°	180.0°
C17	C15	C13	C11	1.6°	0.0°
C15	C17	N18	H1	7.2°	147.3°
C17	C15	C13	H2	178.4°	180.0°
C15	C17	C32	H5	179.7°	179.8°
S07	C10	C11	C13	178.4°	180.0°
S07	C10	C11	H3	1.6°	0.2°
S07	C10	C32	H5	2.5°	0.2°
C10	S07	N05	H9	173.5°	115.0°
O09	S07	C10	C11	19.3°	23.5°
O09	S07	N05	H9	65.1°	1.5°
C10	C11	C13	C15	1.9°	0.2°
C10	C11	C13	H3	180.0°	179.8°
C10	C11	C13	H2	178.1°	179.8°
C11	C10	C32	H5	179.2°	180.0°
C15	C13	C11	H2	180.0°	180.0°
C15	C13	C11	H3	178.0°	180.0°
C11	C13	C15	H10	178.4°	180.0°
H2	C13	C11	H3	2.0°	0.0°
H2	C13	C15	H10	1.6°	0.0°
H4	C28	N26	H12	1.2°	0.1°
H6	C01	H7	H8	120.0°	120.0°
H6	C01	N05	H9	59.9°	120.0°
H7	C01	N05	H9	180.0°	0.1°
H8	C01	N05	H9	60.1°	120.0°

Release date:	2015-09-23
Definition date:	2015-02-28
Last modified:	2015-09-18
Release status:	REL
Processing site:	RCSB
Derived from:	4YFI