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Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	N	sing	1.47Å	1.47Å
C	C1	sing	1.53Å	1.52Å
C1	C2	sing	1.53Å	1.52Å
C2	N1	sing	1.47Å	1.47Å
N1	C3	sing	1.47Å	1.47Å
C3	C4	sing	1.53Å	1.52Å
C4	SG	sing	1.81Å	1.81Å
N1	H1	sing	1.01Å	1.00Å
C4	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
SG	H11	sing	1.34Å	1.30Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
N	H14	sing	1.01Å	1.00Å
N	H15	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	C1	112.9°	109.5°
N	C	H12	108.6°	109.4°
N	C	H13	108.6°	109.5°
C	N	H14	109.5°	111.0°
C	N	H15	109.4°	111.0°
C	C1	C2	114.9°	109.4°
C	C1	H9	108.1°	109.5°
C	C1	H10	108.1°	109.5°
C1	C	H12	108.6°	109.5°
C1	C	H13	108.6°	109.5°
C1	C2	N1	112.3°	109.5°
C1	C2	H7	108.8°	109.5°
C1	C2	H8	108.8°	109.5°
C2	C1	H9	108.1°	109.4°
C2	C1	H10	108.1°	109.5°
C2	N1	C3	113.7°	111.0°
C2	N1	H1	108.4°	111.0°
N1	C2	H7	108.8°	109.5°
N1	C2	H8	108.8°	109.5°
N1	C3	C4	110.9°	109.4°
C3	N1	H1	108.4°	111.0°
N1	C3	H5	109.1°	109.4°
N1	C3	H6	109.1°	109.5°
C3	C4	SG	111.7°	109.5°
C3	C4	H3	108.9°	109.5°
C3	C4	H4	108.9°	109.5°
C4	C3	H5	109.1°	109.5°
C4	C3	H6	109.1°	109.5°
SG	C4	H3	108.9°	109.4°
SG	C4	H4	108.9°	109.5°
C4	SG	H11	102.0°	103.0°
H3	C4	H4	109.5°	109.5°
H5	C3	H6	109.4°	109.5°
H7	C2	H8	109.5°	109.5°
H9	C1	H10	109.5°	109.5°
H12	C	H13	109.5°	109.4°
H14	N	H15	109.5°	111.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	C1	H12	120.5°	120.0°
N	C	C1	H13	120.5°	120.0°
N	C	C1	C2	170.2°	180.0°
N	C	C1	H9	69.1°	60.0°
N	C	C1	H10	49.3°	60.0°
N	C	H12	H13	118.4°	120.0°
C	N	H14	H15	120.0°	124.0°
C	C1	C2	H9	120.8°	120.0°
C	C1	C2	H10	120.8°	120.0°
C	C1	C2	N1	68.8°	180.0°
C	C1	C2	H7	51.6°	60.0°
C	C1	C2	H8	170.7°	60.0°
C	C1	H9	H10	117.5°	120.1°
C1	C	H12	H13	118.5°	120.1°
C1	C	N	H14	180.0°	179.9°
C1	C	N	H15	60.0°	56.0°
C1	C2	N1	H7	120.4°	120.0°
C1	C2	N1	H8	120.4°	120.0°
C1	C2	N1	C3	162.8°	180.0°
C1	C2	N1	H1	42.1°	56.0°
C1	C2	H7	H8	118.7°	120.0°
C2	C1	H9	H10	117.5°	120.0°
C2	C1	C	H12	49.6°	60.0°
C2	C1	C	H13	69.3°	60.0°
C2	N1	C3	H1	120.6°	124.0°
C2	N1	C3	C4	173.2°	180.0°
C2	N1	C3	H5	66.6°	60.0°
C2	N1	C3	H6	52.9°	60.0°
N1	C2	H7	H8	118.7°	120.0°
N1	C2	C1	H9	170.4°	60.0°
N1	C2	C1	H10	52.0°	60.0°
N1	C3	C4	H5	120.2°	120.0°
N1	C3	C4	H6	120.2°	120.0°
N1	C3	C4	SG	159.4°	180.0°
N1	C3	C4	H3	39.0°	60.1°
N1	C3	C4	H4	80.3°	60.0°
N1	C3	H5	H6	119.4°	120.0°
C3	N1	C2	H7	76.8°	60.0°
C3	N1	C2	H8	42.3°	60.0°
C3	C4	SG	H3	120.3°	119.9°
C3	C4	SG	H4	120.3°	120.0°
C4	C3	N1	H1	52.5°	56.0°
C3	C4	H3	H4	118.9°	120.1°
C4	C3	H5	H6	119.3°	120.1°
C3	C4	SG	H11	180.0°	180.0°
SG	C4	H3	H4	119.0°	120.0°
SG	C4	C3	H5	80.4°	60.0°
SG	C4	C3	H6	39.1°	60.0°
H1	N1	C3	H5	172.8°	176.0°
H1	N1	C3	H6	67.7°	64.0°
H1	N1	C2	H7	162.6°	64.0°
H1	N1	C2	H8	78.3°	176.0°
H3	C4	C3	H5	159.2°	180.0°
H3	C4	C3	H6	81.2°	59.9°
H3	C4	SG	H11	59.7°	60.1°
H4	C4	C3	H5	39.9°	60.0°
H4	C4	C3	H6	159.4°	180.0°
H4	C4	SG	H11	59.7°	60.0°
H7	C2	C1	H9	69.2°	180.0°
H7	C2	C1	H10	172.4°	60.0°
H8	C2	C1	H9	49.9°	60.0°
H8	C2	C1	H10	68.5°	180.0°
H9	C1	C	H12	170.4°	180.0°
H9	C1	C	H13	51.5°	60.0°
H10	C1	C	H12	71.2°	60.0°
H10	C1	C	H13	169.8°	180.0°
H12	C	N	H14	59.5°	59.9°
H12	C	N	H15	60.5°	176.0°
H13	C	N	H14	59.4°	60.0°
H13	C	N	H15	179.5°	64.0°

Release date:	2021-12-01
Definition date:	2021-02-16
Last modified:	2021-11-26
Release status:	REL
Processing site:	PDBE
Derived from:	7NIZ