Obsolete: BWB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.21Å	1.23Å
C	CA	sing	1.51Å	1.53Å
N	CA	sing	1.47Å	1.46Å
CA	CB	sing	1.53Å	1.53Å
CB	OG	sing	1.43Å	1.42Å
C	OXT	sing	1.34Å	1.33Å
N	H1	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
CA	H4	sing	1.09Å	1.10Å
CB	H5	sing	1.09Å	1.10Å
CB	H6	sing	1.09Å	1.10Å
OXT	H8	sing	0.97Å	0.95Å
OG	C1	sing	1.43Å	41.11Å
C1	C2	sing	1.53Å	0.00Å
C1	O2	sing	1.43Å	0.00Å
C2	C7	sing	1.53Å	0.00Å
O2	C5	sing	1.43Å	0.00Å
C5	C6	sing	1.53Å	0.00Å
C6	C7	sing	1.53Å	0.00Å
C7	O4	sing	1.43Å	0.00Å
C6	O5	sing	1.43Å	0.00Å
C2	O3	sing	1.43Å	0.00Å
C1	H3	sing	1.09Å	0.00Å
C2	H7	sing	1.09Å	0.00Å
C5	H9	sing	1.09Å	0.00Å
C5	H10	sing	1.09Å	0.00Å
C6	H11	sing	1.09Å	0.00Å
C7	H12	sing	1.09Å	0.00Å
O4	H13	sing	0.97Å	0.00Å
O5	H14	sing	0.97Å	0.00Å
O3	H15	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	CA	121.4°	120.0°
O	C	OXT	123.3°	120.0°
C	CA	N	111.0°	109.4°
C	CA	CB	108.9°	109.5°
CA	C	OXT	115.3°	120.0°
C	CA	H4	108.4°	109.5°
N	CA	CB	110.9°	109.5°
CA	N	H1	109.5°	111.0°
CA	N	H2	109.4°	111.0°
N	CA	H4	109.3°	109.5°
CA	CB	OG	111.5°	109.5°
CB	CA	H4	108.3°	109.4°
CA	CB	H5	108.9°	109.4°
CA	CB	H6	108.9°	109.4°
OG	CB	H5	109.0°	109.5°
OG	CB	H6	109.0°	109.5°
CB	OG	C1	45.0°	114.0°
C	OXT	H8	109.5°	117.0°
H1	N	H2	109.5°	111.0°
H5	CB	H6	109.5°	109.5°
OG	C1	C2	90.0°	109.5°
OG	C1	O2	90.0°	109.5°
OG	C1	H3	90.0°	109.5°
C2	C1	O2	90.0°	109.4°
C1	C2	C7	90.0°	109.2°
C1	C2	O3	90.0°	109.5°
C2	C1	H3	90.0°	109.5°
C1	C2	H7	90.0°	109.5°
C1	O2	C5	90.0°	114.1°
O2	C1	H3	90.0°	109.5°
C2	C7	C6	90.0°	109.0°
C2	C7	O4	90.0°	109.6°
C7	C2	O3	90.0°	109.5°
C7	C2	H7	90.0°	109.5°
C2	C7	H12	90.0°	109.6°
O2	C5	C6	90.0°	109.4°
O2	C5	H9	90.0°	109.5°
O2	C5	H10	90.0°	109.5°
C5	C6	C7	90.0°	109.2°
C5	C6	O5	90.0°	109.5°
C6	C5	H9	90.0°	109.5°
C6	C5	H10	90.0°	109.5°
C5	C6	H11	90.0°	109.5°
C6	C7	O4	90.0°	109.5°
C7	C6	O5	90.0°	109.5°
C7	C6	H11	90.0°	109.5°
C6	C7	H12	90.0°	109.5°
O4	C7	H12	90.0°	109.6°
C7	O4	H13	90.0°	114.0°
O5	C6	H11	90.0°	109.6°
C6	O5	H14	90.0°	114.0°
O3	C2	H7	90.0°	109.6°
C2	O3	H15	90.0°	114.0°
H9	C5	H10	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	CA	OXT	179.7°	180.0°
O	C	CA	N	28.2°	20.0°
O	C	CA	CB	94.2°	100.0°
O	C	CA	H4	148.2°	140.0°
O	C	OXT	H8	0.0°	0.0°
C	CA	N	CB	121.2°	120.0°
C	CA	N	H4	119.5°	120.1°
C	CA	CB	H4	117.7°	120.1°
C	CA	CB	OG	158.8°	175.0°
C	CA	N	H1	180.0°	60.0°
C	CA	N	H2	60.0°	176.1°
C	CA	CB	H5	80.9°	65.0°
C	CA	CB	H6	38.5°	55.0°
CA	C	OXT	H8	179.6°	180.0°
N	CA	CB	H4	119.9°	120.0°
N	CA	CB	OG	78.8°	65.0°
N	CA	C	OXT	152.2°	160.0°
CA	N	H1	H2	120.0°	124.0°
N	CA	CB	H5	41.6°	55.0°
N	CA	CB	H6	160.9°	175.0°
CA	CB	OG	H5	120.3°	120.0°
CA	CB	OG	H6	120.3°	120.0°
CB	CA	C	OXT	85.5°	80.0°
CB	CA	N	H1	58.8°	60.0°
CB	CA	N	H2	178.8°	63.9°
CA	CB	H5	H6	119.0°	119.9°
CA	CB	OG	C1	34.7°	180.0°
OG	CB	CA	H4	41.1°	55.0°
OG	CB	H5	H6	119.1°	120.0°
CB	OG	C1	C2	90.0°	175.0°
CB	OG	C1	O2	90.0°	65.1°
CB	OG	C1	H3	90.0°	54.9°
OXT	C	CA	H4	32.2°	40.0°
H1	N	CA	H4	60.6°	180.0°
H2	N	CA	H4	59.5°	56.0°
H4	CA	CB	H5	161.5°	175.0°
H4	CA	CB	H6	79.2°	65.1°
H5	CB	OG	C1	155.0°	60.0°
H6	CB	OG	C1	85.6°	60.0°
OG	C1	C2	O2	90.0°	120.0°
OG	C1	C2	H3	90.0°	120.0°
OG	C1	O2	H3	90.0°	120.0°
OG	C1	C2	C7	90.0°	177.6°
OG	C1	O2	C5	90.0°	178.9°
OG	C1	C2	O3	90.0°	62.5°
OG	C1	C2	H7	90.0°	57.7°
C2	C1	O2	H3	90.0°	120.0°
C1	C2	C7	O3	90.0°	119.9°
C1	C2	C7	H7	90.0°	119.9°
C2	C1	O2	C5	90.0°	61.1°
C1	C2	C7	C6	90.0°	57.0°
C1	C2	C7	O4	90.0°	62.9°
C1	C2	O3	H7	90.0°	120.1°
C1	C2	C7	H12	90.0°	176.8°
C1	C2	O3	H15	90.0°	59.9°
O2	C1	C2	C7	90.0°	57.6°
C1	O2	C5	C6	90.0°	61.1°
O2	C1	C2	O3	90.0°	177.5°
O2	C1	C2	H7	90.0°	62.3°
C1	O2	C5	H9	90.0°	178.9°
C1	O2	C5	H10	90.0°	58.8°
C2	C7	C6	C5	90.0°	57.0°
C2	C7	C6	O4	90.0°	119.9°
C2	C7	C6	H12	90.0°	119.9°
C2	C7	O4	H12	90.0°	120.3°
C2	C7	C6	O5	90.0°	62.9°
C7	C2	O3	H7	90.0°	120.2°
C7	C2	C1	H3	90.0°	62.4°
C2	C7	C6	H11	90.0°	176.9°
C2	C7	O4	H13	90.0°	180.0°
C7	C2	O3	H15	90.0°	179.7°
O2	C5	C6	H9	90.0°	120.0°
O2	C5	C6	H10	90.0°	120.0°
O2	C5	C6	C7	90.0°	57.6°
O2	C5	C6	O5	90.0°	62.3°
C5	O2	C1	H3	90.0°	58.9°
O2	C5	H9	H10	90.0°	120.0°
O2	C5	C6	H11	90.0°	177.5°
C5	C6	C7	O5	90.0°	119.9°
C5	C6	C7	H11	90.0°	119.9°
C5	C6	C7	O4	90.0°	62.9°
C5	C6	O5	H11	90.0°	120.1°
C6	C5	H9	H10	90.0°	120.0°
C5	C6	C7	H12	90.0°	176.8°
C5	C6	O5	H14	90.0°	60.0°
C6	C7	O4	H12	90.0°	120.2°
C7	C6	O5	H11	90.0°	120.2°
C6	C7	C2	O3	90.0°	176.9°
C6	C7	C2	H7	90.0°	62.9°
C7	C6	C5	H9	90.0°	177.6°
C7	C6	C5	H10	90.0°	62.4°
C6	C7	O4	H13	90.0°	60.5°
C7	C6	O5	H14	90.0°	179.7°
O4	C7	C6	O5	90.0°	177.2°
O4	C7	C2	O3	90.0°	57.1°
O4	C7	C2	H7	90.0°	177.3°
O4	C7	C6	H11	90.0°	57.0°
O5	C6	C5	H9	90.0°	57.7°
O5	C6	C5	H10	90.0°	177.7°
O5	C6	C7	H12	90.0°	57.0°
O3	C2	C1	H3	90.0°	57.5°
O3	C2	C7	H12	90.0°	63.2°
H3	C1	C2	H7	90.0°	177.7°
H7	C2	C7	H12	90.0°	56.9°
H7	C2	O3	H15	90.0°	60.2°
H9	C5	C6	H11	90.0°	62.5°
H10	C5	C6	H11	90.0°	57.5°
H11	C6	C7	H12	90.0°	63.3°
H11	C6	O5	H14	90.0°	60.1°
H12	C7	O4	H13	90.0°	59.7°

Release date:	2018-10-31
Definition date:	2017-10-20
Last modified:	2020-07-03
Release status:	OBS
Processing site:	EBI
Derived from:	6ERU