S7M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O26	C13	sing	1.43Å	1.42Å
C22	N21	doub	1.32Å	1.35Å	Aromatic
C22	N23	sing	1.32Å	1.34Å	Aromatic
N21	C20	sing	1.33Å	1.36Å	Aromatic
N23	C24	doub	1.33Å	1.35Å	Aromatic
C20	N16	sing	1.37Å	1.36Å	Aromatic
C20	C19	doub	1.40Å	1.39Å	Aromatic
C13	C14	sing	1.54Å	1.43Å
C13	C12	sing	1.55Å	1.46Å
C14	N16	sing	1.46Å	1.46Å
C14	O15	sing	1.45Å	1.42Å
C24	C19	sing	1.41Å	1.42Å	Aromatic
C24	N25	sing	1.38Å	1.43Å
N16	C17	sing	1.36Å	1.36Å	Aromatic
C19	N18	sing	1.35Å	1.37Å	Aromatic
C17	N18	doub	1.30Å	1.35Å	Aromatic
O15	C11	sing	1.44Å	1.43Å
C12	O27	sing	1.43Å	1.38Å
C12	C11	sing	1.54Å	1.51Å
C11	C10	sing	1.53Å	1.48Å
C10	S2	sing	1.81Å	1.79Å
C28	C1	sing	1.53Å	1.50Å
C1	S2	sing	1.81Å	1.76Å
S2	C3	sing	1.81Å	1.79Å
C3	C4	sing	1.53Å	1.52Å
C4	C5	sing	1.53Å	1.51Å
C5	N9	sing	1.47Å	1.43Å
C5	C6	sing	1.51Å	1.50Å
O8	C6	doub	1.21Å	1.26Å
C6	O7	sing	1.34Å	1.26Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
O7	H8	sing	0.97Å	0.95Å
N9	H9	sing	1.01Å	1.00Å
N9	H10	sing	1.01Å	1.00Å
C10	H12	sing	1.09Å	1.10Å
C10	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C13	H16	sing	1.09Å	1.10Å
C14	H17	sing	1.09Å	1.10Å
C17	H18	sing	1.08Å	1.08Å
C22	H19	sing	1.08Å	1.08Å
N25	H20	sing	0.97Å	1.00Å
N25	H21	sing	0.97Å	1.00Å
O26	H22	sing	0.97Å	0.95Å
O27	H23	sing	0.97Å	0.95Å
C28	H24	sing	1.09Å	1.10Å
C28	H25	sing	1.09Å	1.10Å
C28	H26	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O26	C13	C14	108.5°	110.5°
O26	C13	C12	113.9°	110.6°
O26	C13	H16	111.1°	110.6°
C13	O26	H22	109.5°	114.0°
N21	C22	N23	120.2°	122.5°
C22	N21	C20	121.4°	120.6°
N21	C22	H19	119.9°	118.7°
C22	N23	C24	121.5°	121.2°
N23	C22	H19	119.9°	118.8°
N21	C20	N16	134.4°	134.9°
N21	C20	C19	119.5°	119.1°
N23	C24	C19	119.4°	118.5°
N23	C24	N25	120.3°	120.7°
N16	C20	C19	106.1°	106.0°
C20	N16	C14	122.8°	126.3°
C20	N16	C17	109.8°	107.4°
C20	C19	C24	117.9°	118.2°
C20	C19	N18	107.6°	107.1°
C14	C13	C12	101.4°	104.0°
C13	C14	N16	107.7°	110.4°
C13	C14	O15	109.4°	104.9°
C14	C13	H16	110.9°	110.6°
C13	C14	H17	109.4°	110.4°
C13	C12	O27	112.4°	110.5°
C13	C12	C11	101.6°	104.1°
C13	C12	H15	109.4°	110.6°
C12	C13	H16	110.6°	110.4°
N16	C14	O15	111.7°	110.4°
C14	N16	C17	127.4°	126.3°
N16	C14	H17	109.0°	110.4°
C14	O15	C11	106.2°	105.2°
O15	C14	H17	109.6°	110.4°
C19	C24	N25	120.3°	120.8°
C24	C19	N18	134.5°	134.7°
C24	N25	H20	109.5°	120.0°
C24	N25	H21	109.5°	120.0°
N16	C17	N18	107.9°	110.0°
N16	C17	H18	126.1°	124.9°
C19	N18	C17	108.7°	109.4°
N18	C17	H18	126.1°	125.1°
O15	C11	C12	102.9°	104.9°
O15	C11	C10	111.7°	110.4°
O15	C11	H14	109.6°	110.4°
O27	C12	C11	113.7°	110.6°
O27	C12	H15	110.5°	110.4°
C12	O27	H23	109.5°	114.1°
C12	C11	C10	114.9°	110.4°
C12	C11	H14	108.6°	110.4°
C11	C12	H15	108.8°	110.5°
C11	C10	S2	121.7°	109.5°
C11	C10	H12	106.3°	109.5°
C11	C10	H13	106.4°	109.5°
C10	C11	H14	109.0°	110.3°
C10	S2	C1	111.1°	103.0°
C10	S2	C3	109.2°	103.0°
S2	C10	H12	106.4°	109.4°
S2	C10	H13	106.3°	109.4°
C28	C1	S2	117.5°	109.5°
C28	C1	H1	107.4°	109.5°
C28	C1	H2	107.4°	109.5°
C1	C28	H24	109.5°	109.5°
C1	C28	H25	109.5°	109.5°
C1	C28	H26	109.5°	109.4°
C1	S2	C3	108.4°	103.0°
S2	C1	H1	107.4°	109.5°
S2	C1	H2	107.5°	109.4°
S2	C3	C4	119.3°	109.5°
S2	C3	H3	106.9°	109.5°
S2	C3	H4	107.0°	109.4°
C3	C4	C5	118.1°	109.5°
C4	C3	H3	107.0°	109.5°
C4	C3	H4	107.0°	109.5°
C3	C4	H5	107.3°	109.5°
C3	C4	H6	107.3°	109.5°
C4	C5	N9	110.3°	109.4°
C4	C5	C6	110.9°	109.5°
C5	C4	H5	107.3°	109.4°
C5	C4	H6	107.3°	109.5°
C4	C5	H7	108.0°	109.5°
N9	C5	C6	110.3°	109.4°
N9	C5	H7	109.1°	109.5°
C5	N9	H9	109.5°	111.0°
C5	N9	H10	109.4°	111.0°
C5	C6	O8	120.1°	120.0°
C5	C6	O7	120.8°	119.9°
C6	C5	H7	108.2°	109.5°
O8	C6	O7	119.1°	120.0°
C6	O7	H8	109.5°	117.0°
H1	C1	H2	109.4°	109.5°
H3	C3	H4	109.5°	109.5°
H5	C4	H6	109.5°	109.4°
H9	N9	H10	109.5°	111.0°
H12	C10	H13	109.5°	109.5°
H20	N25	H21	109.5°	120.0°
H24	C28	H25	109.5°	109.5°
H24	C28	H26	109.5°	109.5°
H25	C28	H26	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O26	C13	C14	C12	120.2°	118.7°
O26	C13	C14	H16	122.3°	122.8°
O26	C13	C12	H16	125.9°	122.7°
O26	C13	C14	N16	146.0°	98.5°
O26	C13	C14	O15	92.4°	142.6°
O26	C13	C12	O27	46.5°	0.0°
O26	C13	C12	C11	75.5°	118.7°
O26	C13	C12	H15	169.7°	122.6°
O26	C13	C14	H17	27.6°	23.8°
N21	C22	N23	H19	180.0°	180.0°
N21	C22	N23	C24	0.6°	0.4°
C22	N21	C20	N16	179.6°	179.9°
C22	N21	C20	C19	0.1°	0.2°
N23	C22	N21	C20	0.5°	0.0°
C22	N23	C24	C19	0.2°	0.6°
C22	N23	C24	N25	179.6°	179.9°
N21	C20	N16	C19	179.5°	179.9°
N21	C20	N16	C14	0.7°	0.0°
N21	C20	C19	C24	0.5°	0.1°
N21	C20	N16	C17	179.3°	179.7°
N21	C20	C19	N18	179.5°	179.7°
C20	N21	C22	H19	179.4°	180.0°
N23	C24	C19	C20	0.4°	0.5°
N23	C24	C19	N25	179.7°	179.4°
N23	C24	C19	N18	179.7°	179.3°
C24	N23	C22	H19	179.3°	179.6°
N23	C24	N25	H20	0.0°	0.0°
N23	C24	N25	H21	120.0°	179.9°
C20	N16	C14	C13	154.0°	84.7°
C20	N16	C14	C17	178.3°	179.7°
C20	N16	C14	O15	85.8°	159.8°
N16	C20	C19	C24	179.9°	179.9°
N16	C20	C19	N18	0.1°	0.4°
C20	N16	C17	N18	0.3°	0.3°
C20	N16	C14	H17	35.4°	37.5°
C20	N16	C17	H18	179.7°	179.8°
C19	C20	N16	C14	178.8°	179.9°
C20	C19	C24	N18	179.9°	179.7°
C20	C19	C24	N25	179.9°	179.9°
C19	C20	N16	C17	0.3°	0.4°
C20	C19	N18	C17	0.1°	0.2°
C14	C13	C12	H16	117.7°	118.6°
C13	C14	N16	O15	120.1°	115.5°
C13	C14	N16	H17	118.6°	122.3°
C13	C14	O15	H17	119.9°	118.9°
C13	C14	N16	C17	24.3°	95.0°
C13	C14	O15	C11	2.2°	40.4°
C14	C13	C12	O27	162.8°	118.7°
C14	C13	C12	C11	40.8°	0.0°
C14	C13	C12	H15	74.0°	118.7°
C14	C13	O26	H22	180.0°	180.0°
C12	C13	C14	N16	93.8°	142.8°
C12	C13	C14	O15	27.8°	23.9°
C13	C12	C11	O15	40.4°	23.9°
C13	C12	O27	C11	114.7°	114.7°
C13	C12	O27	H15	122.6°	122.7°
C13	C12	C11	H15	115.4°	118.8°
C13	C12	C11	C10	162.0°	142.8°
C13	C12	C11	H14	75.7°	95.0°
C12	C13	C14	H17	147.8°	94.9°
C12	C13	O26	H22	67.9°	65.3°
C13	C12	O27	H23	180.0°	65.3°
N16	C14	O15	H17	121.0°	122.3°
C14	N16	C17	N18	178.8°	180.0°
N16	C14	O15	C11	116.9°	159.2°
N16	C14	C13	H16	23.7°	24.3°
C14	N16	C17	H18	1.2°	0.0°
O15	C14	N16	C17	95.9°	20.5°
C14	O15	C11	C12	23.5°	40.4°
C14	O15	C11	C10	147.2°	159.2°
C14	O15	C11	H14	91.9°	78.6°
O15	C14	C13	H16	145.3°	94.6°
C24	C19	N18	C17	179.9°	179.9°
C19	C24	N25	H20	179.8°	179.4°
C19	C24	N25	H21	60.2°	0.5°
N25	C24	C19	N18	0.1°	0.2°
C24	N25	H20	H21	120.0°	179.9°
N16	C17	N18	C19	0.3°	0.0°
N16	C17	N18	H18	180.0°	180.0°
C17	N16	C14	H17	142.9°	142.8°
C19	N18	C17	H18	179.8°	180.0°
O15	C11	C12	O27	161.4°	142.6°
O15	C11	C12	C10	121.5°	118.9°
O15	C11	C12	H14	116.1°	118.9°
O15	C11	C10	H14	121.2°	122.2°
O15	C11	C10	S2	67.8°	67.9°
O15	C11	C10	H12	53.9°	52.0°
O15	C11	C10	H13	170.6°	172.1°
O15	C11	C12	H15	75.0°	94.9°
C11	O15	C14	H17	122.2°	78.5°
O27	C12	C11	H15	123.7°	122.6°
O27	C12	C11	C10	77.1°	98.5°
O27	C12	C11	H14	45.3°	23.7°
O27	C12	C13	H16	79.5°	122.7°
C12	C11	C10	H14	122.1°	122.3°
C12	C11	C10	S2	48.9°	176.5°
C12	C11	C10	H12	170.6°	63.5°
C12	C11	C10	H13	72.8°	56.6°
C11	C12	C13	H16	158.6°	118.6°
C11	C12	O27	H23	65.3°	180.0°
C11	C10	S2	H12	121.7°	120.0°
C11	C10	S2	H13	121.7°	120.0°
C11	C10	S2	C1	58.4°	73.1°
C11	C10	S2	C3	177.9°	180.0°
C11	C10	H12	H13	114.5°	120.1°
C10	C11	C12	H15	46.6°	24.0°
C10	S2	C1	C28	51.5°	172.6°
C10	S2	C1	C3	120.0°	106.9°
C10	S2	C3	C4	177.1°	78.9°
C10	S2	C1	H1	69.6°	67.4°
C10	S2	C1	H2	172.7°	52.5°
C10	S2	C3	H3	61.5°	161.1°
C10	S2	C3	H4	55.7°	41.1°
S2	C10	H12	H13	114.5°	119.9°
S2	C10	C11	H14	171.0°	54.3°
C28	C1	S2	H1	121.2°	120.0°
C28	C1	S2	H2	121.2°	120.0°
C28	C1	S2	C3	68.5°	65.6°
C28	C1	H1	H2	116.3°	120.0°
C1	C28	H24	H25	120.0°	120.0°
C1	C28	H24	H26	120.0°	119.9°
C1	C28	H25	H26	120.0°	119.9°
C1	S2	C3	C4	61.8°	174.2°
S2	C1	H1	H2	116.4°	119.9°
C1	S2	C3	H3	59.6°	54.2°
C1	S2	C3	H4	176.8°	65.8°
C1	S2	C10	H12	63.3°	166.8°
C1	S2	C10	H13	179.9°	46.9°
S2	C1	C28	H24	180.0°	65.0°
S2	C1	C28	H25	60.0°	55.0°
S2	C1	C28	H26	60.0°	175.0°
S2	C3	C4	H3	121.4°	120.0°
S2	C3	C4	H4	121.4°	119.9°
S2	C3	C4	C5	41.8°	174.8°
C3	S2	C1	H1	170.4°	174.3°
C3	S2	C1	H2	52.7°	54.4°
S2	C3	H3	H4	115.5°	119.9°
S2	C3	C4	H5	79.5°	54.8°
S2	C3	C4	H6	163.0°	65.2°
C3	S2	C10	H12	56.2°	59.9°
C3	S2	C10	H13	60.4°	60.0°
C3	C4	C5	H5	121.2°	120.0°
C3	C4	C5	H6	121.2°	120.1°
C3	C4	C5	N9	77.5°	65.0°
C3	C4	C5	C6	160.0°	175.0°
C4	C3	H3	H4	115.6°	120.1°
C3	C4	H5	H6	116.1°	120.0°
C3	C4	C5	H7	41.7°	55.0°
C4	C5	N9	C6	122.8°	120.0°
C4	C5	N9	H7	118.5°	120.0°
C4	C5	C6	H7	118.3°	120.1°
C4	C5	C6	O8	53.0°	100.0°
C4	C5	C6	O7	127.8°	80.0°
C5	C4	C3	H3	163.1°	65.2°
C5	C4	C3	H4	79.6°	54.8°
C5	C4	H5	H6	116.1°	120.0°
C4	C5	N9	H9	180.0°	60.0°
C4	C5	N9	H10	60.0°	64.0°
N9	C5	C6	H7	119.2°	120.0°
N9	C5	C6	O8	175.5°	20.0°
N9	C5	C6	O7	5.3°	160.0°
N9	C5	C4	H5	161.3°	175.0°
N9	C5	C4	H6	43.8°	55.0°
C5	N9	H9	H10	120.0°	123.9°
C5	C6	O8	O7	179.2°	180.0°
C6	C5	C4	H5	38.8°	55.0°
C6	C5	C4	H6	78.7°	64.9°
C5	C6	O7	H8	179.2°	180.0°
C6	C5	N9	H9	57.2°	60.0°
C6	C5	N9	H10	62.9°	176.0°
O8	C6	C5	H7	65.2°	140.0°
O8	C6	O7	H8	0.0°	0.0°
O7	C6	C5	H7	113.9°	40.0°
H1	C1	C28	H24	58.9°	175.0°
H1	C1	C28	H25	61.2°	65.0°
H1	C1	C28	H26	178.9°	55.0°
H2	C1	C28	H24	58.8°	55.0°
H2	C1	C28	H25	178.8°	175.0°
H2	C1	C28	H26	61.2°	65.0°
H3	C3	C4	H5	41.9°	174.8°
H3	C3	C4	H6	75.6°	54.8°
H4	C3	C4	H5	159.2°	65.2°
H4	C3	C4	H6	41.6°	174.9°
H5	C4	C5	H7	79.6°	65.1°
H6	C4	C5	H7	162.9°	175.0°
H7	C5	N9	H9	61.5°	180.0°
H7	C5	N9	H10	178.4°	56.0°
H12	C10	C11	H14	67.3°	174.3°
H13	C10	C11	H14	49.3°	65.7°
H14	C11	C12	H15	168.9°	146.3°
H15	C12	C13	H16	43.7°	0.1°
H15	C12	O27	H23	57.4°	57.4°
H16	C13	C14	H17	94.7°	146.5°
H16	C13	O26	H22	57.8°	57.3°
H24	C28	H25	H26	120.0°	120.1°

Release date:	2013-06-19
Definition date:	2013-06-07
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	4L2Z