9BB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	H	sing	0.97Å	1.00Å
O	C	doub	1.21Å	1.20Å
CA	N	sing	1.40Å	1.45Å
CA	N13	sing	1.40Å	1.49Å
CB	CA	doub	1.33Å	1.35Å
CB	SG	sing	1.76Å	1.72Å
O10	C55	doub	1.21Å	1.21Å
OXT	C49	sing	1.45Å	1.40Å
C	OXT	sing	1.35Å	1.34Å
C	N13	sing	1.35Å	1.36Å
C49	C54	sing	1.53Å	1.55Å
C50	C49	sing	1.53Å	1.54Å
C50	C51	sing	1.53Å	1.54Å
C51	C52	sing	1.53Å	1.56Å
C52	C55	sing	1.51Å	1.57Å
C52	C53	sing	1.53Å	1.58Å
C54	C53	sing	1.53Å	1.56Å
C55	O9	sing	1.34Å	1.36Å
N	H2	sing	0.97Å	1.00Å
O9	HO9	sing	0.97Å	0.95Å
CB	HB	sing	1.08Å	1.08Å
SG	HSG	sing	1.34Å	1.30Å
N13	HN13	sing	0.97Å	1.00Å
C49	H49	sing	1.09Å	1.10Å
C50	H50	sing	1.09Å	1.10Å
C50	H50A	sing	1.09Å	1.10Å
C51	H51	sing	1.09Å	1.10Å
C51	H51A	sing	1.09Å	1.10Å
C52	H52	sing	1.09Å	1.10Å
C53	H53	sing	1.09Å	1.10Å
C53	H53A	sing	1.09Å	1.10Å
C54	H54	sing	1.09Å	1.10Å
C54	H54A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
H	N	CA	109.5°	120.0°
H	N	H2	109.5°	120.0°
O	C	OXT	120.8°	120.0°
O	C	N13	123.8°	120.0°
N	CA	N13	122.2°	120.0°
N	CA	CB	111.3°	120.1°
CA	N	H2	109.4°	119.9°
N13	CA	CB	126.6°	120.0°
CA	N13	C	122.0°	120.0°
CA	N13	HN13	119.0°	120.0°
CA	CB	SG	113.5°	120.0°
CA	CB	HB	123.2°	120.0°
SG	CB	HB	123.3°	120.0°
CB	SG	HSG	102.0°	103.0°
O10	C55	C52	124.5°	120.0°
O10	C55	O9	122.7°	120.0°
C49	OXT	C	120.5°	117.0°
OXT	C49	C54	111.4°	109.5°
OXT	C49	C50	111.2°	109.5°
OXT	C49	H49	109.5°	109.4°
OXT	C	N13	115.3°	120.0°
C	N13	HN13	119.0°	120.0°
C54	C49	C50	109.5°	109.5°
C49	C54	C53	107.2°	109.5°
C54	C49	H49	107.4°	109.5°
C49	C54	H54	110.0°	109.5°
C49	C54	H54A	110.0°	109.5°
C49	C50	C51	108.4°	109.5°
C50	C49	H49	107.7°	109.5°
C49	C50	H50	109.8°	109.4°
C49	C50	H50A	109.8°	109.5°
C50	C51	C52	110.1°	109.5°
C51	C50	H50	109.7°	109.5°
C51	C50	H50A	109.7°	109.5°
C50	C51	H51	109.3°	109.5°
C50	C51	H51A	109.3°	109.5°
C51	C52	C55	110.3°	109.5°
C51	C52	C53	111.7°	109.5°
C52	C51	H51	109.3°	109.5°
C52	C51	H51A	109.3°	109.5°
C51	C52	H52	107.6°	109.5°
C55	C52	C53	112.2°	109.5°
C52	C55	O9	112.8°	120.0°
C55	C52	H52	107.4°	109.5°
C52	C53	C54	111.2°	109.5°
C53	C52	H52	107.4°	109.5°
C52	C53	H53	109.0°	109.5°
C52	C53	H53A	109.0°	109.5°
C54	C53	H53	109.1°	109.5°
C54	C53	H53A	109.0°	109.5°
C53	C54	H54	110.0°	109.5°
C53	C54	H54A	110.1°	109.5°
C55	O9	HO9	109.5°	117.0°
H50	C50	H50A	109.5°	109.5°
H51	C51	H51A	109.5°	109.4°
H53	C53	H53A	109.5°	109.5°
H54	C54	H54A	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
H	N	CA	H2	120.0°	179.7°
H	N	CA	N13	180.0°	4.6°
H	N	CA	CB	0.5°	175.4°
O	C	N13	CA	0.7°	5.8°
O	C	OXT	C49	110.1°	0.0°
O	C	OXT	N13	179.4°	180.0°
O	C	N13	HN13	179.2°	174.2°
N	CA	N13	CB	179.4°	180.0°
N	CA	CB	SG	0.1°	0.0°
N	CA	N13	C	149.4°	6.4°
N	CA	CB	HB	179.9°	180.0°
N	CA	N13	HN13	30.6°	173.6°
N13	CA	CB	SG	179.6°	180.0°
CA	N13	C	OXT	178.6°	174.2°
CA	N13	C	HN13	180.0°	180.0°
N13	CA	N	H2	60.0°	175.1°
N13	CA	CB	HB	0.4°	0.0°
CA	CB	SG	HB	180.0°	180.0°
CB	CA	N13	C	31.1°	173.6°
CB	CA	N	H2	120.5°	5.0°
CA	CB	SG	HSG	180.0°	180.0°
CB	CA	N13	HN13	148.9°	6.5°
O10	C55	C52	C51	24.8°	0.0°
O10	C55	C52	O9	179.6°	179.9°
O10	C55	C52	C53	149.9°	120.0°
O10	C55	O9	HO9	0.0°	0.1°
O10	C55	C52	H52	92.3°	120.0°
C49	OXT	C	N13	70.5°	180.0°
OXT	C49	C54	C50	123.4°	120.0°
OXT	C49	C54	H49	119.9°	120.0°
OXT	C49	C50	H49	119.9°	120.0°
OXT	C49	C50	C51	169.9°	180.0°
OXT	C49	C54	C53	172.0°	180.0°
OXT	C49	C50	H50	50.1°	60.0°
OXT	C49	C50	H50A	70.3°	60.0°
OXT	C49	C54	H54	68.3°	60.0°
OXT	C49	C54	H54A	52.3°	60.0°
C	OXT	C49	C54	154.8°	150.0°
C	OXT	C49	C50	82.7°	90.0°
OXT	C	N13	HN13	1.4°	5.7°
C	OXT	C49	H49	36.1°	30.0°
C54	C49	C50	H49	116.5°	120.0°
C54	C49	C50	C51	66.6°	60.0°
C49	C54	C53	C52	57.1°	60.0°
C49	C54	C53	H54	119.7°	120.0°
C49	C54	C53	H54A	119.7°	120.0°
C54	C49	C50	H50	173.6°	180.0°
C54	C49	C50	H50A	53.3°	60.0°
C49	C54	C53	H53	63.1°	60.0°
C49	C54	C53	H53A	177.4°	180.0°
C49	C54	H54	H54A	121.0°	120.0°
C49	C50	C51	H50	119.8°	119.9°
C49	C50	C51	H50A	119.8°	120.0°
C49	C50	C51	C52	59.9°	60.0°
C50	C49	C54	C53	64.6°	60.0°
C49	C50	H50	H50A	120.5°	120.0°
C49	C50	C51	H51	60.2°	60.0°
C49	C50	C51	H51A	180.0°	180.0°
C50	C49	C54	H54	55.1°	60.0°
C50	C49	C54	H54A	175.8°	180.0°
C50	C51	C52	H51	120.1°	120.0°
C50	C51	C52	H51A	120.1°	120.0°
C50	C51	C52	C55	179.1°	180.0°
C50	C51	C52	C53	53.7°	60.0°
C51	C50	C49	H49	50.0°	60.0°
C51	C50	H50	H50A	120.5°	120.0°
C50	C51	H51	H51A	119.7°	120.0°
C50	C51	C52	H52	64.0°	60.0°
C51	C52	C55	C53	125.2°	120.0°
C51	C52	C55	H52	117.0°	120.0°
C51	C52	C53	H52	117.8°	120.0°
C51	C52	C53	C54	53.1°	60.0°
C51	C52	C55	O9	154.8°	180.0°
C52	C51	C50	H50	179.7°	180.0°
C52	C51	C50	H50A	59.9°	60.0°
C52	C51	H51	H51A	119.7°	120.0°
C51	C52	C53	H53	67.1°	60.0°
C51	C52	C53	H53A	173.4°	180.0°
C55	C52	C53	H52	117.8°	120.0°
C55	C52	C53	C54	177.5°	180.0°
C52	C55	O9	HO9	179.6°	180.0°
C55	C52	C51	H51	59.1°	60.0°
C55	C52	C51	H51A	60.7°	60.0°
C55	C52	C53	H53	57.3°	60.0°
C55	C52	C53	H53A	62.2°	60.0°
C52	C53	C54	H53	120.2°	120.0°
C52	C53	C54	H53A	120.2°	120.0°
C53	C52	C55	O9	29.6°	60.0°
C53	C52	C51	H51	66.4°	60.0°
C53	C52	C51	H51A	173.8°	180.0°
C52	C53	H53	H53A	119.2°	120.0°
C52	C53	C54	H54	62.5°	60.0°
C52	C53	C54	H54A	176.8°	180.0°
C53	C54	C49	H49	52.1°	60.0°
C54	C53	C52	H52	64.7°	60.0°
C54	C53	H53	H53A	119.2°	120.0°
C53	C54	H54	H54A	121.1°	120.0°
O9	C55	C52	H52	88.2°	60.0°
HB	CB	SG	HSG	0.0°	0.0°
H49	C49	C50	H50	69.9°	60.0°
H49	C49	C50	H50A	169.8°	NaN°
H49	C49	C54	H54	171.7°	180.0°
H49	C49	C54	H54A	67.6°	60.0°
H50	C50	C51	H51	59.6°	59.9°
H50	C50	C51	H51A	60.2°	60.1°
H50A	C50	C51	H51	180.0°	180.0°
H50A	C50	C51	H51A	60.2°	60.0°
H51	C51	C52	H52	176.0°	180.0°
H51A	C51	C52	H52	56.1°	60.0°
H52	C52	C53	H53	175.1°	NaN°
H52	C52	C53	H53A	55.6°	60.0°
H53	C53	C54	H54	177.3°	180.0°
H53	C53	C54	H54A	56.6°	60.0°
H53A	C53	C54	H54	57.7°	59.9°
H53A	C53	C54	H54A	63.0°	60.0°

Definition date:	2012-01-04
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	3U6K