B5I

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.21Å	0.00Å
CI	CH	sing	1.53Å	0.00Å
CI	CB	sing	1.53Å	0.00Å
C	CA	sing	1.51Å	0.00Å
CK	CA	sing	1.53Å	0.00Å
CK	CD	sing	1.53Å	0.00Å
CE	CD	sing	1.53Å	0.00Å
CA	CB	sing	1.53Å	0.00Å
CA	N	sing	1.47Å	0.00Å
N	H2	sing	1.01Å	0.00Å
N	H	sing	1.01Å	0.00Å
CB	H5	sing	1.09Å	0.00Å
CB	H6	sing	1.09Å	0.00Å
CD	H7	sing	1.09Å	0.00Å
CD	H8	sing	1.09Å	0.00Å
CE	H9	sing	1.09Å	0.00Å
CE	H10	sing	1.09Å	0.00Å
CE	H11	sing	1.09Å	0.00Å
CH	H12	sing	1.09Å	0.00Å
CH	H13	sing	1.09Å	0.00Å
CH	H14	sing	1.09Å	0.00Å
CI	H15	sing	1.09Å	0.00Å
CI	H16	sing	1.09Å	0.00Å
CK	H17	sing	1.09Å	0.00Å
CK	H18	sing	1.09Å	0.00Å
C	OXT	sing	1.34Å	0.00Å
OXT	HXT	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	CA	90.0°	120.0°
O	C	OXT	90.0°	120.0°
CH	CI	CB	90.0°	109.5°
CI	CH	H12	90.0°	109.5°
CI	CH	H13	90.0°	109.5°
CI	CH	H14	90.0°	109.5°
CH	CI	H15	90.0°	109.5°
CH	CI	H16	90.0°	109.5°
CI	CB	CA	90.0°	109.5°
CI	CB	H5	90.0°	109.5°
CI	CB	H6	90.0°	109.4°
CB	CI	H15	90.0°	109.5°
CB	CI	H16	90.0°	109.4°
C	CA	CK	90.0°	109.5°
C	CA	CB	90.0°	109.5°
C	CA	N	90.0°	109.5°
CA	C	OXT	90.0°	119.9°
CA	CK	CD	90.0°	109.5°
CK	CA	CB	90.0°	109.5°
CK	CA	N	90.0°	109.4°
CA	CK	H17	90.0°	109.4°
CA	CK	H18	90.0°	109.5°
CK	CD	CE	90.0°	109.5°
CK	CD	H7	90.0°	109.4°
CK	CD	H8	90.0°	109.5°
CD	CK	H17	90.0°	109.5°
CD	CK	H18	90.0°	109.5°
CE	CD	H7	90.0°	109.5°
CE	CD	H8	90.0°	109.5°
CD	CE	H9	90.0°	109.5°
CD	CE	H10	90.0°	109.5°
CD	CE	H11	90.0°	109.5°
CB	CA	N	90.0°	109.5°
CA	CB	H5	90.0°	109.5°
CA	CB	H6	90.0°	109.5°
CA	N	H2	90.0°	111.0°
CA	N	H	90.0°	111.0°
H2	N	H	90.0°	111.0°
H5	CB	H6	90.0°	109.5°
H7	CD	H8	90.0°	109.5°
H9	CE	H10	90.0°	109.5°
H9	CE	H11	90.0°	109.5°
H10	CE	H11	90.0°	109.4°
H12	CH	H13	90.0°	109.5°
H12	CH	H14	90.0°	109.4°
H13	CH	H14	90.0°	109.5°
H15	CI	H16	90.0°	109.5°
H17	CK	H18	90.0°	109.5°
C	OXT	HXT	90.0°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	CA	OXT	90.0°	180.0°
O	C	CA	CK	90.0°	95.0°
O	C	CA	CB	90.0°	25.0°
O	C	CA	N	90.0°	145.0°
O	C	OXT	HXT	90.0°	0.0°
CH	CI	CB	H15	90.0°	120.0°
CH	CI	CB	H16	90.0°	120.0°
CH	CI	CB	CA	90.0°	180.0°
CH	CI	CB	H5	90.0°	60.0°
CH	CI	CB	H6	90.0°	60.0°
CI	CH	H12	H13	90.0°	120.0°
CI	CH	H12	H14	90.0°	120.0°
CI	CH	H13	H14	90.0°	120.0°
CH	CI	H15	H16	90.0°	120.0°
CI	CB	CA	C	90.0°	65.0°
CI	CB	CA	CK	90.0°	175.0°
CI	CB	CA	H5	90.0°	120.0°
CI	CB	CA	H6	90.0°	120.0°
CI	CB	CA	N	90.0°	55.0°
CI	CB	H5	H6	90.0°	120.0°
CB	CI	CH	H12	90.0°	180.0°
CB	CI	CH	H13	90.0°	60.0°
CB	CI	CH	H14	90.0°	60.0°
CB	CI	H15	H16	90.0°	120.0°
C	CA	CK	CB	90.0°	120.0°
C	CA	CK	N	90.0°	120.0°
C	CA	CK	CD	90.0°	60.0°
C	CA	CB	N	90.0°	120.0°
C	CA	N	H2	90.0°	56.0°
C	CA	N	H	90.0°	179.9°
C	CA	CB	H5	90.0°	175.0°
C	CA	CB	H6	90.0°	55.0°
C	CA	CK	H17	90.0°	59.9°
C	CA	CK	H18	90.0°	179.9°
CA	C	OXT	HXT	90.0°	180.0°
CA	CK	CD	H17	90.0°	120.0°
CA	CK	CD	H18	90.0°	120.0°
CA	CK	CD	CE	90.0°	180.0°
CK	CA	CB	N	90.0°	120.0°
CK	CA	N	H2	90.0°	64.0°
CK	CA	N	H	90.0°	60.0°
CK	CA	CB	H5	90.0°	55.0°
CK	CA	CB	H6	90.0°	65.0°
CA	CK	CD	H7	90.0°	60.0°
CA	CK	CD	H8	90.0°	60.0°
CA	CK	H17	H18	90.0°	120.0°
CK	CA	C	OXT	90.0°	85.0°
CK	CD	CE	H7	90.0°	120.0°
CK	CD	CE	H8	90.0°	120.0°
CD	CK	CA	CB	90.0°	180.0°
CD	CK	CA	N	90.0°	60.0°
CK	CD	H7	H8	90.0°	120.0°
CK	CD	CE	H9	90.0°	180.0°
CK	CD	CE	H10	90.0°	60.0°
CK	CD	CE	H11	90.0°	60.0°
CD	CK	H17	H18	90.0°	120.0°
CE	CD	H7	H8	90.0°	120.0°
CD	CE	H9	H10	90.0°	120.0°
CD	CE	H9	H11	90.0°	120.0°
CD	CE	H10	H11	90.0°	120.0°
CE	CD	CK	H17	90.0°	60.0°
CE	CD	CK	H18	90.0°	60.0°
CB	CA	N	H2	90.0°	176.0°
CB	CA	N	H	90.0°	59.9°
CA	CB	H5	H6	90.0°	120.0°
CA	CB	CI	H15	90.0°	60.0°
CA	CB	CI	H16	90.0°	60.0°
CB	CA	CK	H17	90.0°	60.0°
CB	CA	CK	H18	90.0°	60.0°
CB	CA	C	OXT	90.0°	155.0°
CA	N	H2	H	90.0°	124.0°
N	CA	CB	H5	90.0°	65.0°
N	CA	CB	H6	90.0°	175.0°
N	CA	CK	H17	90.0°	180.0°
N	CA	CK	H18	90.0°	60.0°
N	CA	C	OXT	90.0°	35.0°
H5	CB	CI	H15	90.0°	180.0°
H5	CB	CI	H16	90.0°	60.0°
H6	CB	CI	H15	90.0°	60.0°
H6	CB	CI	H16	90.0°	NaN°
H7	CD	CE	H9	90.0°	60.1°
H7	CD	CE	H10	90.0°	60.0°
H7	CD	CE	H11	90.0°	180.0°
H7	CD	CK	H17	90.0°	60.0°
H7	CD	CK	H18	90.0°	180.0°
H8	CD	CE	H9	90.0°	60.0°
H8	CD	CE	H10	90.0°	180.0°
H8	CD	CE	H11	90.0°	60.0°
H8	CD	CK	H17	90.0°	180.0°
H8	CD	CK	H18	90.0°	60.0°
H9	CE	H10	H11	90.0°	120.0°
H12	CH	H13	H14	90.0°	120.0°
H12	CH	CI	H15	90.0°	60.0°
H12	CH	CI	H16	90.0°	60.0°
H13	CH	CI	H15	90.0°	180.0°
H13	CH	CI	H16	90.0°	60.0°
H14	CH	CI	H15	90.0°	60.0°
H14	CH	CI	H16	90.0°	180.0°

Release date:	2024-09-04
Definition date:	2022-09-21
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB