A1APK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OXT	C	doub	1.21Å	1.26Å
C	O	sing	1.34Å	1.27Å
C	CA	sing	1.51Å	1.53Å
CA	N	sing	1.46Å	1.45Å
OAQ	CAP	doub	1.21Å	1.19Å
N	CAP	sing	1.35Å	1.45Å
CAP	CAO	sing	1.51Å	1.53Å
CAO	CAN	sing	1.51Å	1.53Å
CAN	CAW	doub	1.34Å	1.41Å	Aromatic
CAN	NAM	sing	1.31Å	1.37Å	Aromatic
CAW	SAX	sing	1.76Å	1.70Å	Aromatic
NAM	CAL	doub	1.30Å	1.34Å	Aromatic
CAL	SAX	sing	1.76Å	1.69Å	Aromatic
CAL	CAI	sing	1.48Å	1.53Å
CAJ	CAK	doub	1.38Å	1.39Å	Aromatic
CAJ	CAI	sing	1.40Å	1.39Å	Aromatic
CAK	CAE	sing	1.39Å	1.39Å	Aromatic
CAI	CAG	doub	1.40Å	1.39Å	Aromatic
CAE	OAD	sing	1.36Å	1.41Å
CAE	CAF	doub	1.39Å	1.39Å	Aromatic
CAG	CAF	sing	1.38Å	1.39Å	Aromatic
CAG	CLAH	sing	1.74Å	1.79Å
OAD	CAC	sing	1.43Å	1.41Å
CAC	OAB	sing	1.43Å	1.40Å
OAB	CAA	sing	1.43Å	1.40Å
N	H1	sing	0.97Å	1.00Å
CA	H2	sing	1.09Å	1.10Å
CA	H3	sing	1.09Å	1.10Å
O	H4	sing	0.97Å	0.95Å
CAA	H5	sing	1.09Å	1.10Å
CAA	H6	sing	1.09Å	1.10Å
CAA	H7	sing	1.09Å	1.10Å
CAC	H8	sing	1.09Å	1.10Å
CAC	H9	sing	1.09Å	1.10Å
CAF	H10	sing	1.08Å	1.08Å
CAJ	H11	sing	1.08Å	1.08Å
CAK	H12	sing	1.08Å	1.08Å
CAO	H13	sing	1.09Å	1.10Å
CAO	H14	sing	1.09Å	1.10Å
CAW	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OXT	C	O	120.1°	120.0°
OXT	C	CA	117.5°	120.0°
O	C	CA	122.3°	120.0°
C	O	H4	109.5°	117.0°
C	CA	N	112.4°	109.4°
C	CA	H2	108.7°	109.4°
C	CA	H3	108.7°	109.4°
CA	N	CAP	120.8°	120.0°
CA	N	H1	119.6°	120.1°
N	CA	H2	108.7°	109.5°
N	CA	H3	108.7°	109.5°
OAQ	CAP	N	120.8°	120.0°
OAQ	CAP	CAO	120.2°	120.0°
N	CAP	CAO	119.0°	120.0°
CAP	N	H1	119.6°	120.0°
CAP	CAO	CAN	113.3°	109.5°
CAP	CAO	H13	108.5°	109.5°
CAP	CAO	H14	108.5°	109.5°
CAO	CAN	CAW	122.8°	122.1°
CAO	CAN	NAM	122.1°	122.0°
CAN	CAO	H13	108.5°	109.4°
CAN	CAO	H14	108.5°	109.4°
CAW	CAN	NAM	115.1°	115.9°
CAN	CAW	SAX	104.1°	108.2°
CAN	CAW	H15	127.9°	125.9°
CAN	NAM	CAL	116.4°	117.0°
CAW	SAX	CAL	98.0°	89.8°
SAX	CAW	H15	127.9°	125.8°
NAM	CAL	SAX	106.3°	109.0°
NAM	CAL	CAI	124.7°	125.5°
SAX	CAL	CAI	129.0°	125.5°
CAL	CAI	CAJ	119.5°	120.1°
CAL	CAI	CAG	121.0°	120.1°
CAK	CAJ	CAI	120.5°	119.9°
CAJ	CAK	CAE	119.9°	120.1°
CAK	CAJ	H11	119.7°	120.0°
CAJ	CAK	H12	120.0°	120.0°
CAJ	CAI	CAG	119.5°	119.8°
CAI	CAJ	H11	119.7°	120.0°
CAK	CAE	OAD	120.5°	119.9°
CAK	CAE	CAF	119.5°	120.2°
CAE	CAK	H12	120.0°	120.0°
CAI	CAG	CAF	119.7°	119.9°
CAI	CAG	CLAH	121.2°	120.1°
OAD	CAE	CAF	119.9°	119.9°
CAE	OAD	CAC	114.1°	117.0°
CAE	CAF	CAG	120.7°	120.1°
CAE	CAF	H10	119.6°	120.0°
CAF	CAG	CLAH	119.0°	120.0°
CAG	CAF	H10	119.6°	120.0°
OAD	CAC	OAB	113.8°	109.5°
OAD	CAC	H8	108.3°	109.5°
OAD	CAC	H9	108.4°	109.5°
CAC	OAB	CAA	113.9°	114.0°
OAB	CAC	H8	108.4°	109.5°
OAB	CAC	H9	108.4°	109.5°
OAB	CAA	H5	109.5°	109.5°
OAB	CAA	H6	109.5°	109.5°
OAB	CAA	H7	109.5°	109.4°
H2	CA	H3	109.5°	109.5°
H5	CAA	H6	109.4°	109.5°
H5	CAA	H7	109.5°	109.4°
H6	CAA	H7	109.5°	109.5°
H8	CAC	H9	109.5°	109.5°
H13	CAO	H14	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OXT	C	O	CA	180.0°	180.0°
OXT	C	CA	N	170.5°	0.0°
OXT	C	CA	H2	69.1°	120.0°
OXT	C	CA	H3	50.1°	120.0°
OXT	C	O	H4	0.0°	0.0°
O	C	CA	N	9.4°	180.0°
O	C	CA	H2	111.0°	60.0°
O	C	CA	H3	129.9°	60.0°
C	CA	N	H2	120.4°	119.9°
C	CA	N	H3	120.4°	120.0°
C	CA	N	CAP	97.0°	180.0°
C	CA	N	H1	83.0°	0.3°
C	CA	H2	H3	118.7°	120.0°
CA	C	O	H4	180.0°	179.9°
CA	N	CAP	OAQ	0.1°	0.2°
CA	N	CAP	H1	180.0°	179.7°
CA	N	CAP	CAO	179.7°	179.7°
N	CA	H2	H3	118.7°	120.1°
OAQ	CAP	N	CAO	179.6°	179.9°
OAQ	CAP	CAO	CAN	164.6°	0.0°
OAQ	CAP	N	H1	179.9°	180.0°
OAQ	CAP	CAO	H13	74.8°	120.0°
OAQ	CAP	CAO	H14	44.1°	119.9°
N	CAP	CAO	CAN	15.8°	180.0°
CAP	N	CA	H2	142.6°	60.1°
CAP	N	CA	H3	23.4°	60.0°
N	CAP	CAO	H13	104.8°	60.1°
N	CAP	CAO	H14	136.4°	60.0°
CAP	CAO	CAN	H13	120.6°	120.0°
CAP	CAO	CAN	H14	120.6°	120.0°
CAP	CAO	CAN	CAW	118.3°	125.0°
CAP	CAO	CAN	NAM	61.7°	54.4°
CAO	CAP	N	H1	0.3°	0.0°
CAP	CAO	H13	H14	118.3°	120.1°
CAO	CAN	CAW	NAM	180.0°	179.4°
CAO	CAN	CAW	SAX	179.9°	180.0°
CAO	CAN	NAM	CAL	179.3°	179.8°
CAN	CAO	H13	H14	118.3°	120.0°
CAO	CAN	CAW	H15	0.1°	0.5°
CAN	CAW	SAX	H15	180.0°	179.5°
CAW	CAN	NAM	CAL	0.7°	0.4°
CAN	CAW	SAX	CAL	0.4°	0.4°
CAW	CAN	CAO	H13	121.1°	115.0°
CAW	CAN	CAO	H14	2.2°	5.0°
NAM	CAN	CAW	SAX	0.1°	0.5°
CAN	NAM	CAL	SAX	0.9°	0.0°
CAN	NAM	CAL	CAI	179.8°	179.7°
NAM	CAN	CAO	H13	58.9°	65.6°
NAM	CAN	CAO	H14	177.7°	174.4°
NAM	CAN	CAW	H15	179.9°	179.9°
CAW	SAX	CAL	NAM	0.7°	0.2°
CAW	SAX	CAL	CAI	179.6°	180.0°
NAM	CAL	SAX	CAI	178.9°	179.8°
NAM	CAL	CAI	CAJ	58.8°	0.2°
NAM	CAL	CAI	CAG	119.3°	179.7°
SAX	CAL	CAI	CAJ	122.5°	180.0°
SAX	CAL	CAI	CAG	59.4°	0.0°
CAL	SAX	CAW	H15	179.6°	180.0°
CAL	CAI	CAJ	CAK	179.1°	179.8°
CAL	CAI	CAJ	CAG	178.1°	180.0°
CAL	CAI	CAG	CAF	179.0°	180.0°
CAL	CAI	CAG	CLAH	1.4°	0.0°
CAL	CAI	CAJ	H11	1.0°	0.3°
CAK	CAJ	CAI	H11	180.0°	179.5°
CAJ	CAK	CAE	H12	180.0°	179.5°
CAK	CAJ	CAI	CAG	1.0°	0.3°
CAJ	CAK	CAE	OAD	179.5°	179.7°
CAJ	CAK	CAE	CAF	0.3°	0.5°
CAI	CAJ	CAK	CAE	0.3°	0.5°
CAJ	CAI	CAG	CAF	0.9°	0.0°
CAJ	CAI	CAG	CLAH	179.5°	180.0°
CAI	CAJ	CAK	H12	179.6°	180.0°
CAK	CAE	OAD	CAF	179.2°	179.8°
CAK	CAE	CAF	CAG	0.4°	0.2°
CAK	CAE	OAD	CAC	153.3°	0.3°
CAK	CAE	CAF	H10	179.6°	179.8°
CAE	CAK	CAJ	H11	179.7°	180.0°
CAI	CAG	CAF	CAE	0.2°	0.0°
CAI	CAG	CAF	CLAH	179.6°	180.0°
CAI	CAG	CAF	H10	179.7°	180.0°
CAG	CAI	CAJ	H11	179.1°	179.7°
OAD	CAE	CAF	CAG	179.5°	180.0°
CAE	OAD	CAC	OAB	92.1°	75.0°
CAE	OAD	CAC	H8	28.5°	45.0°
CAE	OAD	CAC	H9	147.2°	165.0°
OAD	CAE	CAF	H10	0.5°	0.0°
OAD	CAE	CAK	H12	0.5°	0.2°
CAE	CAF	CAG	H10	180.0°	180.0°
CAE	CAF	CAG	CLAH	179.8°	180.0°
CAF	CAE	OAD	CAC	25.8°	180.0°
CAF	CAE	CAK	H12	179.7°	180.0°
CLAH	CAG	CAF	H10	0.2°	0.0°
OAD	CAC	OAB	H8	120.6°	120.0°
OAD	CAC	OAB	H9	120.6°	120.0°
OAD	CAC	OAB	CAA	161.4°	75.0°
OAD	CAC	H8	H9	118.0°	120.0°
CAC	OAB	CAA	H5	180.0°	60.1°
CAC	OAB	CAA	H6	60.0°	60.0°
CAC	OAB	CAA	H7	60.0°	180.0°
OAB	CAC	H8	H9	118.0°	120.0°
OAB	CAA	H5	H6	120.0°	120.1°
OAB	CAA	H5	H7	120.0°	119.9°
OAB	CAA	H6	H7	120.0°	120.0°
CAA	OAB	CAC	H8	77.9°	165.0°
CAA	OAB	CAC	H9	40.8°	45.0°
H1	N	CA	H2	37.4°	119.7°
H1	N	CA	H3	156.6°	120.2°
H5	CAA	H6	H7	119.9°	120.0°
H11	CAJ	CAK	H12	0.3°	0.5°

Release date:	2024-11-06
Definition date:	2024-04-22
Last modified:	2024-11-01
Release status:	REL
Processing site:	RCSB
Derived from:	9BC9