6B7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	sing	1.53Å	1.53Å
C3	C2	sing	1.53Å	1.52Å
C2	O2	sing	1.45Å	1.44Å
O2	C1	sing	1.34Å	1.38Å
O	C	doub	1.21Å	1.26Å
C1	O1	doub	1.21Å	1.22Å
C1	C5	sing	1.51Å	1.51Å
C5	S1	sing	1.81Å	1.83Å
C	OXT	sing	1.34Å	1.26Å
C	CA	sing	1.51Å	1.51Å
S1	CB	sing	1.81Å	1.85Å
CA	CB	sing	1.55Å	1.50Å
CA	N	sing	1.47Å	1.31Å
CB	CG	sing	1.55Å	1.51Å
N	CD	doub	1.27Å	1.48Å
O5	C13	doub	1.21Å	1.22Å
CG	C10	sing	1.53Å	1.53Å
CG	CD	sing	1.51Å	1.53Å
CD	C12	sing	1.51Å	1.56Å
C13	C12	sing	1.51Å	1.52Å
C12	C14	sing	1.53Å	1.56Å
C14	O6	sing	1.43Å	1.43Å
C14	C15	sing	1.53Å	1.53Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C10	H3	sing	1.09Å	1.10Å
C12	H5	sing	1.09Å	1.10Å
C13	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.09Å	1.10Å
C15	H10	sing	1.09Å	1.10Å
C15	H11	sing	1.09Å	1.10Å
C15	H12	sing	1.09Å	1.10Å
C2	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å
C3	H15	sing	1.09Å	1.10Å
C3	H16	sing	1.09Å	1.10Å
OXT	H17	sing	0.97Å	0.95Å
C4	H18	sing	1.09Å	1.10Å
C4	H19	sing	1.09Å	1.10Å
C4	H20	sing	1.09Å	1.10Å
C5	H21	sing	1.09Å	1.10Å
C5	H22	sing	1.09Å	1.10Å
O6	H23	sing	0.97Å	0.95Å
CB	H24	sing	1.09Å	1.10Å
CA	H25	sing	1.09Å	1.10Å
CG	H26	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C3	C2	113.2°	109.5°
C4	C3	H15	108.6°	109.4°
C4	C3	H16	108.5°	109.5°
C3	C4	H18	109.5°	109.5°
C3	C4	H19	109.4°	109.4°
C3	C4	H20	109.5°	109.5°
C3	C2	O2	109.6°	109.4°
C3	C2	H13	109.5°	109.5°
C3	C2	H14	109.5°	109.5°
C2	C3	H15	108.5°	109.5°
C2	C3	H16	108.6°	109.5°
C2	O2	C1	117.2°	117.0°
O2	C2	H13	109.4°	109.4°
O2	C2	H14	109.5°	109.4°
O2	C1	O1	125.5°	120.0°
O2	C1	C5	110.9°	120.0°
O	C	OXT	129.4°	120.0°
O	C	CA	115.5°	119.9°
O1	C1	C5	123.6°	120.0°
C1	C5	S1	108.6°	109.5°
C1	C5	H21	109.7°	109.4°
C1	C5	H22	109.7°	109.5°
C5	S1	CB	104.9°	103.0°
S1	C5	H21	109.7°	109.4°
S1	C5	H22	109.7°	109.5°
OXT	C	CA	115.1°	120.0°
C	OXT	H17	109.5°	117.0°
C	CA	CB	123.9°	110.3°
C	CA	N	118.9°	110.2°
C	CA	H25	94.2°	110.3°
S1	CB	CA	118.2°	111.2°
S1	CB	CG	117.3°	111.2°
S1	CB	H24	105.4°	111.0°
CB	CA	N	115.4°	105.1°
CA	CB	CG	97.5°	100.7°
CA	CB	H24	109.1°	111.2°
CB	CA	H25	94.2°	110.3°
CA	N	CD	104.1°	112.6°
N	CA	H25	94.8°	110.5°
CB	CG	C10	108.0°	110.6°
CB	CG	CD	106.0°	103.7°
CG	CB	H24	108.9°	111.2°
CB	CG	H26	111.2°	110.6°
N	CD	CG	106.5°	111.2°
N	CD	C12	113.1°	124.4°
O5	C13	C12	121.6°	120.0°
O5	C13	H8	119.2°	120.0°
C10	CG	CD	109.7°	110.4°
CG	C10	H1	109.5°	109.5°
CG	C10	H2	109.4°	109.5°
CG	C10	H3	109.5°	109.5°
C10	CG	H26	110.9°	110.5°
CG	CD	C12	114.2°	124.4°
CD	CG	H26	110.9°	111.0°
CD	C12	C13	112.1°	109.5°
CD	C12	C14	121.4°	109.5°
CD	C12	H5	102.1°	109.5°
C13	C12	C14	113.3°	109.5°
C13	C12	H5	102.4°	109.5°
C12	C13	H8	119.2°	120.0°
C12	C14	O6	103.2°	109.5°
C12	C14	C15	119.0°	109.5°
C14	C12	H5	102.2°	109.5°
C12	C14	H9	107.8°	109.4°
O6	C14	C15	109.0°	109.5°
O6	C14	H9	109.5°	109.5°
C14	O6	H23	109.5°	114.0°
C15	C14	H9	108.1°	109.5°
C14	C15	H10	109.5°	109.5°
C14	C15	H11	109.4°	109.4°
C14	C15	H12	109.5°	109.5°
H1	C10	H2	109.5°	109.4°
H1	C10	H3	109.5°	109.5°
H2	C10	H3	109.5°	109.5°
H10	C15	H11	109.5°	109.5°
H10	C15	H12	109.4°	109.5°
H11	C15	H12	109.5°	109.5°
H13	C2	H14	109.4°	109.5°
H15	C3	H16	109.4°	109.4°
H18	C4	H19	109.5°	109.5°
H18	C4	H20	109.4°	109.5°
H19	C4	H20	109.5°	109.5°
H21	C5	H22	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C3	C2	H15	120.6°	120.0°
C4	C3	C2	H16	120.6°	120.0°
C4	C3	C2	O2	10.1°	180.0°
C4	C3	C2	H13	130.1°	60.0°
C4	C3	C2	H14	110.0°	60.0°
C4	C3	H15	H16	118.3°	119.9°
C3	C4	H18	H19	120.0°	119.9°
C3	C4	H18	H20	120.0°	120.1°
C3	C4	H19	H20	120.0°	120.0°
C3	C2	O2	H13	120.0°	120.0°
C3	C2	O2	H14	120.1°	120.0°
C3	C2	O2	C1	107.1°	180.0°
C3	C2	H13	H14	120.0°	120.1°
C2	C3	H15	H16	118.3°	120.1°
C2	C3	C4	H18	180.0°	180.0°
C2	C3	C4	H19	60.0°	60.0°
C2	C3	C4	H20	60.0°	60.0°
C2	O2	C1	O1	172.3°	0.0°
C2	O2	C1	C5	8.7°	180.0°
O2	C2	H13	H14	119.9°	120.0°
O2	C2	C3	H15	110.5°	60.0°
O2	C2	C3	H16	130.6°	60.0°
O2	C1	O1	C5	178.8°	179.9°
O2	C1	C5	S1	178.5°	180.0°
C1	O2	C2	H13	132.8°	60.0°
C1	O2	C2	H14	12.9°	60.0°
O2	C1	C5	H21	58.6°	60.1°
O2	C1	C5	H22	61.7°	59.9°
O	C	OXT	CA	179.1°	180.0°
O	C	CA	CB	75.6°	90.8°
O	C	CA	N	120.2°	24.8°
O	C	OXT	H17	0.0°	0.0°
O	C	CA	H25	22.4°	147.1°
O1	C1	C5	S1	2.5°	0.0°
O1	C1	C5	H21	122.4°	120.0°
O1	C1	C5	H22	117.3°	120.1°
C1	C5	S1	H21	119.9°	119.9°
C1	C5	S1	H22	119.9°	120.1°
C1	C5	S1	CB	157.8°	174.5°
C1	C5	H21	H22	120.4°	120.0°
C5	S1	CB	CA	98.4°	85.7°
C5	S1	CB	CG	145.2°	162.9°
S1	C5	H21	H22	120.4°	120.0°
C5	S1	CB	H24	23.8°	38.7°
OXT	C	CA	CB	103.6°	89.2°
OXT	C	CA	N	60.5°	155.2°
OXT	C	CA	H25	158.4°	32.9°
C	CA	CB	S1	3.5°	25.0°
C	CA	CB	N	164.7°	118.8°
C	CA	CB	H25	97.9°	122.2°
C	CA	N	H25	97.5°	122.2°
C	CA	CB	CG	130.1°	142.9°
C	CA	N	CD	134.6°	135.0°
CA	C	OXT	H17	179.1°	180.0°
C	CA	CB	H24	116.8°	99.2°
S1	CB	CA	CG	126.6°	117.9°
S1	CB	CA	H24	120.3°	124.2°
S1	CB	CA	N	161.2°	93.7°
S1	CB	CG	H24	119.6°	124.2°
S1	CB	CG	C10	31.4°	24.2°
S1	CB	CG	CD	148.9°	94.1°
CB	S1	C5	H21	38.0°	65.6°
CB	S1	C5	H22	82.3°	54.4°
S1	CB	CA	H25	101.5°	147.2°
S1	CB	CG	H26	90.5°	146.9°
CB	CA	N	H25	97.0°	119.0°
CA	CB	CG	H24	113.2°	117.9°
CB	CA	N	CD	30.9°	16.2°
CA	CB	CG	C10	95.8°	142.1°
CA	CB	CG	CD	21.7°	23.8°
CA	CB	CG	H26	142.3°	95.2°
N	CA	CB	CG	34.6°	24.1°
CA	N	CD	CG	13.1°	0.2°
CA	N	CD	C12	113.2°	179.9°
N	CA	CB	H24	78.5°	142.0°
CB	CG	CD	N	7.4°	16.3°
CB	CG	C10	CD	115.0°	114.2°
CB	CG	C10	H26	122.1°	122.7°
CB	CG	CD	H26	120.8°	118.7°
CB	CG	CD	C12	133.0°	164.0°
CB	CG	C10	H1	180.0°	60.0°
CB	CG	C10	H2	60.0°	180.0°
CB	CG	C10	H3	60.0°	60.0°
CG	CB	CA	H25	131.9°	94.9°
N	CD	CG	C10	108.9°	134.7°
N	CD	CG	C12	125.6°	179.7°
N	CD	C12	C13	12.0°	115.0°
N	CD	C12	C14	150.4°	5.0°
N	CD	C12	H5	97.0°	125.0°
CD	N	CA	H25	127.9°	102.8°
N	CD	CG	H26	128.2°	102.5°
O5	C13	C12	CD	88.4°	119.9°
O5	C13	C12	H8	180.0°	179.9°
O5	C13	C12	C14	129.7°	120.1°
O5	C13	C12	H5	20.4°	0.0°
C10	CG	CD	H26	122.9°	122.8°
C10	CG	CD	C12	16.7°	45.6°
CG	C10	H1	H2	120.0°	120.0°
CG	C10	H1	H3	120.0°	120.0°
CG	C10	H2	H3	120.0°	120.0°
C10	CG	CB	H24	151.0°	99.9°
CG	CD	C12	C13	134.0°	65.3°
CG	CD	C12	C14	87.6°	174.7°
CD	CG	C10	H1	64.9°	174.2°
CD	CG	C10	H2	55.0°	65.8°
CD	CG	C10	H3	175.0°	54.2°
CG	CD	C12	H5	25.1°	54.7°
CD	CG	CB	H24	91.5°	141.8°
CD	C12	C13	C14	141.9°	120.0°
CD	C12	C13	H5	108.8°	120.0°
CD	C12	C14	H5	112.6°	120.0°
CD	C12	C14	O6	162.5°	60.0°
CD	C12	C14	C15	41.7°	60.0°
CD	C12	C13	H8	91.6°	59.9°
CD	C12	C14	H9	81.8°	180.0°
C12	CD	CG	H26	106.2°	77.2°
C13	C12	C14	H5	109.5°	120.0°
C13	C12	C14	O6	24.5°	60.0°
C13	C12	C14	C15	96.3°	180.0°
C13	C12	C14	H9	140.3°	60.0°
C12	C14	O6	C15	127.4°	120.0°
C12	C14	O6	H9	114.5°	119.9°
C12	C14	C15	H9	123.3°	119.9°
C14	C12	C13	H8	50.3°	60.1°
C12	C14	C15	H10	180.0°	60.0°
C12	C14	C15	H11	60.0°	180.0°
C12	C14	C15	H12	60.0°	60.0°
C12	C14	O6	H23	180.0°	180.0°
O6	C14	C15	H9	118.9°	120.0°
O6	C14	C12	H5	84.9°	180.0°
O6	C14	C15	H10	62.2°	60.0°
O6	C14	C15	H11	177.8°	60.0°
O6	C14	C15	H12	57.8°	180.0°
C15	C14	C12	H5	154.3°	60.0°
C14	C15	H10	H11	120.0°	120.0°
C14	C15	H10	H12	120.0°	120.0°
C14	C15	H11	H12	120.0°	120.0°
C15	C14	O6	H23	52.6°	59.9°
H1	C10	H2	H3	120.0°	120.0°
H1	C10	CG	H26	57.9°	62.7°
H2	C10	CG	H26	177.9°	57.3°
H3	C10	CG	H26	62.1°	177.3°
H5	C12	C13	H8	159.6°	179.9°
H5	C12	C14	H9	30.8°	60.0°
H9	C14	C15	H10	56.7°	180.0°
H9	C14	C15	H11	63.3°	60.0°
H9	C14	C15	H12	176.7°	60.0°
H9	C14	O6	H23	65.4°	60.1°
H10	C15	H11	H12	120.0°	120.0°
H13	C2	C3	H15	9.5°	NaN°
H13	C2	C3	H16	109.3°	60.0°
H14	C2	C3	H15	129.5°	59.9°
H14	C2	C3	H16	10.6°	180.0°
H15	C3	C4	H18	59.4°	60.0°
H15	C3	C4	H19	60.6°	180.0°
H15	C3	C4	H20	179.4°	60.0°
H16	C3	C4	H18	59.4°	59.9°
H16	C3	C4	H19	179.4°	60.1°
H16	C3	C4	H20	60.6°	180.0°
H18	C4	H19	H20	120.0°	120.0°
H24	CB	CA	H25	18.9°	23.0°
H24	CB	CG	H26	29.1°	22.7°

Release date:	2016-10-05
Definition date:	2016-03-01
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	5DZJ