TGT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.63Å
C1	C7	sing	1.52Å	1.66Å
C1	O6	sing	1.43Å	1.51Å
C1	H1	sing	1.09Å	1.12Å
C2	C3	sing	1.53Å	1.64Å
C2	N2	sing	1.47Å	1.51Å
C2	H2	sing	1.09Å	1.12Å
C3	C4	sing	1.52Å	1.62Å
C3	O10	sing	1.45Å	1.47Å
C3	H3	sing	1.09Å	1.12Å
C4	C5	sing	1.53Å	1.59Å
C4	O1	sing	1.41Å	1.51Å
C4	H4	sing	1.09Å	1.11Å
C5	C8	sing	1.51Å	1.56Å
C5	O2	sing	1.43Å	1.42Å
C5	S1	sing	1.82Å	1.86Å
C6	C7	sing	1.53Å	1.58Å
C6	S1	sing	1.82Å	1.85Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
C7	C9	sing	1.51Å	1.54Å
C7	O1	sing	1.41Å	1.50Å
C8	O3	doub	1.21Å	1.41Å
C8	N1	sing	1.35Å	1.43Å
C9	O4	doub	1.21Å	1.36Å
C9	O5	sing	1.34Å	1.35Å
C10	C11	sing	1.51Å	1.53Å
C10	O10	sing	1.34Å	1.32Å
C10	O11	doub	1.21Å	1.53Å
C11	H111	sing	1.09Å	1.12Å
C11	H112	sing	1.09Å	1.11Å
C11	H113	sing	1.09Å	1.11Å
O2	HO2	sing	0.97Å	0.95Å
O5	HO5	sing	0.97Å	0.95Å
O6	P1	sing	1.61Å	1.65Å
O7	P1	sing	1.61Å	1.70Å
O7	HO7	sing	0.97Å	0.95Å
O8	P1	doub	1.48Å	1.67Å
O9	P1	sing	1.61Å	1.54Å
O9	HO9	sing	0.97Å	0.95Å
N1	HN11	sing	0.97Å	1.02Å
N1	HN12	sing	0.97Å	1.02Å
N2	HN21	sing	1.01Å	1.02Å
N2	HN22	sing	1.01Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C7	110.7°	109.4°
C2	C1	O6	111.4°	109.5°
C2	C1	H1	107.6°	109.5°
C1	C2	C3	110.4°	108.0°
C1	C2	N2	107.7°	109.8°
C1	C2	H2	110.3°	109.7°
C7	C1	O6	110.5°	109.5°
C7	C1	H1	108.7°	109.5°
C1	C7	C6	119.3°	110.8°
C1	C7	C9	108.0°	107.1°
C1	C7	O1	109.5°	112.6°
O6	C1	H1	107.9°	109.5°
C1	O6	P1	129.1°	106.8°
C3	C2	N2	110.0°	109.8°
C3	C2	H2	107.9°	109.8°
C2	C3	C4	111.1°	109.4°
C2	C3	O10	106.7°	109.5°
C2	C3	H3	111.3°	109.5°
N2	C2	H2	110.6°	109.7°
C2	N2	HN21	107.7°	106.7°
C2	N2	HN22	112.9°	106.7°
C4	C3	O10	112.4°	109.5°
C4	C3	H3	105.5°	109.5°
C3	C4	C5	115.2°	110.8°
C3	C4	O1	110.3°	112.6°
C3	C4	H4	104.2°	107.1°
O10	C3	H3	109.9°	109.5°
C3	O10	C10	128.5°	120.0°
C5	C4	O1	107.6°	112.3°
C5	C4	H4	107.2°	107.0°
C4	C5	C8	112.4°	109.7°
C4	C5	O2	107.3°	109.6°
C4	C5	S1	111.5°	108.8°
O1	C4	H4	112.4°	106.7°
C4	O1	C7	118.2°	113.0°
C8	C5	O2	108.4°	109.6°
C8	C5	S1	110.8°	109.6°
C5	C8	O3	122.4°	120.0°
C5	C8	N1	118.4°	120.0°
O2	C5	S1	106.0°	109.6°
C5	O2	HO2	107.2°	106.8°
C5	S1	C6	100.6°	98.7°
C7	C6	S1	111.5°	108.8°
C7	C6	H61	111.5°	109.6°
C7	C6	H62	111.4°	109.5°
C6	C7	C9	107.2°	107.1°
C6	C7	O1	105.6°	112.4°
S1	C6	H61	111.4°	109.6°
S1	C6	H62	111.5°	109.6°
H61	C6	H62	98.9°	109.7°
C9	C7	O1	106.6°	106.6°
C7	C9	O4	120.7°	120.0°
C7	C9	O5	120.5°	120.0°
O3	C8	N1	119.2°	120.0°
C8	N1	HN11	119.1°	120.0°
C8	N1	HN12	118.4°	120.0°
O4	C9	O5	118.8°	120.0°
C9	O5	HO5	120.5°	120.0°
C11	C10	O10	123.8°	120.0°
C11	C10	O11	118.4°	120.0°
C10	C11	H111	123.7°	109.4°
C10	C11	H112	107.1°	109.5°
C10	C11	H113	107.1°	109.4°
O10	C10	O11	117.9°	120.0°
H111	C11	H112	107.1°	109.5°
H111	C11	H113	107.2°	109.5°
H112	C11	H113	102.7°	109.5°
O6	P1	O7	109.3°	109.5°
O6	P1	O8	112.0°	109.5°
O6	P1	O9	120.3°	109.5°
P1	O7	HO7	109.4°	106.8°
O7	P1	O8	104.9°	109.4°
O7	P1	O9	104.6°	109.5°
O8	P1	O9	104.5°	109.4°
P1	O9	HO9	120.2°	106.8°
HN11	N1	HN12	122.5°	120.0°
HN21	N2	HN22	112.9°	106.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C7	O6	123.8°	120.0°
C2	C1	C7	H1	118.0°	120.0°
C2	C1	O6	H1	117.9°	120.0°
C1	C2	C3	N2	118.7°	119.7°
C1	C2	C3	H2	120.5°	119.6°
C1	C2	N2	H2	120.5°	120.7°
C1	C2	C3	C4	53.9°	55.9°
C1	C2	C3	O10	176.7°	64.0°
C1	C2	C3	H3	63.4°	175.9°
C2	C1	C7	C6	121.7°	69.9°
C2	C1	C7	C9	115.7°	173.7°
C2	C1	C7	O1	0.0°	56.9°
C2	C1	O6	P1	163.3°	108.8°
C1	C2	N2	HN21	180.0°	178.6°
C1	C2	N2	HN22	54.7°	67.6°
C7	C1	O6	H1	118.7°	120.1°
C7	C1	C2	C3	51.9°	56.0°
C7	C1	C2	N2	68.3°	175.7°
C7	C1	C2	H2	171.0°	63.6°
C1	C7	O1	C4	57.7°	57.0°
C1	C7	C6	C9	123.0°	116.4°
C1	C7	C6	O1	123.6°	126.8°
C1	C7	C6	S1	62.0°	64.2°
C1	C7	C6	H61	172.8°	175.9°
C1	C7	C6	H62	63.3°	55.6°
C1	C7	C9	O1	117.6°	120.7°
C1	C7	C9	O4	58.5°	30.8°
C1	C7	C9	O5	121.0°	149.2°
C7	C1	O6	P1	73.3°	131.3°
O6	C1	C2	C3	71.5°	176.0°
O6	C1	C2	N2	168.4°	64.3°
O6	C1	C2	H2	47.7°	56.4°
O6	C1	C7	C6	2.1°	50.1°
O6	C1	C7	C9	120.5°	66.4°
O6	C1	C7	O1	123.8°	176.8°
C1	O6	P1	O7	153.6°	65.8°
C1	O6	P1	O8	37.7°	54.2°
C1	O6	P1	O9	85.5°	174.1°
H1	C1	C2	C3	170.5°	64.0°
H1	C1	C2	N2	50.4°	55.7°
H1	C1	C2	H2	70.4°	176.4°
H1	C1	C7	C6	120.3°	170.1°
H1	C1	C7	C9	2.3°	53.7°
H1	C1	C7	O1	118.0°	63.1°
H1	C1	O6	P1	45.4°	11.2°
C3	C2	N2	H2	119.2°	120.7°
C2	C3	C4	O10	119.5°	119.9°
C2	C3	C4	H3	120.7°	120.0°
C2	C3	O10	H3	120.8°	120.1°
C2	C3	C4	C5	125.2°	70.0°
C2	C3	C4	O1	3.2°	56.7°
C2	C3	C4	H4	117.7°	173.7°
C2	C3	O10	C10	135.6°	90.1°
C3	C2	N2	HN21	59.7°	60.0°
C3	C2	N2	HN22	65.6°	173.8°
N2	C2	C3	C4	64.8°	175.6°
N2	C2	C3	O10	58.0°	55.7°
N2	C2	C3	H3	178.0°	64.4°
C2	N2	HN21	HN22	125.3°	113.8°
H2	C2	C3	C4	174.4°	63.7°
H2	C2	C3	O10	62.7°	176.4°
H2	C2	C3	H3	57.2°	56.3°
H2	C2	N2	HN21	59.4°	60.7°
H2	C2	N2	HN22	175.3°	53.1°
C4	C3	O10	H3	117.2°	120.0°
C3	C4	C5	O1	123.5°	126.9°
C3	C4	C5	H4	115.4°	116.4°
C3	C4	O1	H4	115.8°	117.2°
C3	C4	C5	C8	58.6°	55.7°
C3	C4	C5	O2	177.8°	176.0°
C3	C4	C5	S1	66.5°	64.2°
C3	C4	O1	C7	56.3°	57.0°
C4	C3	O10	C10	102.4°	150.1°
O10	C3	C4	C5	115.3°	170.1°
O10	C3	C4	O1	122.6°	63.2°
O10	C3	C4	H4	1.8°	53.7°
C3	O10	C10	C11	91.6°	180.0°
C3	O10	C10	O11	87.9°	0.0°
H3	C3	C4	C5	4.5°	50.0°
H3	C3	C4	O1	117.6°	176.8°
H3	C3	C4	H4	121.6°	66.3°
H3	C3	O10	C10	14.8°	30.0°
C5	C4	O1	H4	117.7°	117.0°
C4	C5	C8	O2	118.5°	120.3°
C4	C5	C8	S1	125.5°	119.4°
C4	C5	O2	S1	119.3°	119.3°
C4	C5	S1	C6	50.3°	52.3°
C5	C4	O1	C7	70.2°	68.9°
C4	C5	C8	O3	91.9°	124.6°
C4	C5	C8	N1	87.5°	55.4°
C4	C5	O2	HO2	180.0°	179.4°
O1	C4	C5	C8	177.8°	177.5°
O1	C4	C5	O2	58.7°	57.2°
O1	C4	C5	S1	57.0°	62.7°
C4	O1	C7	C6	71.9°	68.9°
C4	O1	C7	C9	174.3°	174.1°
H4	C4	C5	C8	56.8°	60.7°
H4	C4	C5	O2	62.4°	59.6°
H4	C4	C5	S1	178.1°	179.5°
H4	C4	O1	C7	172.1°	174.1°
C8	C5	O2	S1	119.0°	120.3°
C8	C5	S1	C6	176.3°	172.2°
C5	C8	O3	N1	179.3°	180.0°
C8	C5	O2	HO2	58.3°	60.3°
C5	C8	N1	HN11	0.6°	5.2°
C5	C8	N1	HN12	180.0°	174.8°
O2	C5	S1	C6	66.2°	67.6°
O2	C5	C8	O3	149.7°	115.0°
O2	C5	C8	N1	31.0°	65.0°
C5	S1	C6	C7	53.0°	52.2°
C5	S1	C6	H61	72.3°	67.6°
C5	S1	C6	H62	178.2°	172.0°
S1	C5	C8	O3	33.7°	5.3°
S1	C5	C8	N1	147.0°	174.7°
S1	C5	O2	HO2	60.7°	60.0°
C7	C6	S1	H61	125.3°	119.8°
C7	C6	S1	H62	125.2°	119.8°
C7	C6	H61	H62	117.3°	120.3°
C6	C7	C9	O1	112.7°	120.5°
C6	C7	C9	O4	71.2°	88.0°
C6	C7	C9	O5	109.3°	91.9°
S1	C6	H61	H62	117.4°	120.4°
S1	C6	C7	C9	175.0°	179.3°
S1	C6	C7	O1	61.6°	62.6°
H61	C6	C7	C9	49.8°	59.5°
H61	C6	C7	O1	63.6°	57.2°
H62	C6	C7	C9	59.7°	60.8°
H62	C6	C7	O1	173.1°	177.6°
C7	C9	O4	O5	179.4°	179.9°
C7	C9	O5	HO5	179.9°	180.0°
O1	C7	C9	O4	176.0°	151.5°
O1	C7	C9	O5	3.4°	28.5°
O3	C8	N1	HN11	180.0°	174.8°
O3	C8	N1	HN12	0.6°	5.2°
C8	N1	HN11	HN12	179.4°	180.0°
O4	C9	O5	HO5	0.5°	0.1°
C11	C10	O10	O11	179.5°	180.0°
C10	C11	H111	H112	125.2°	120.0°
C10	C11	H111	H113	125.2°	120.0°
C10	C11	H112	H113	112.7°	119.9°
O10	C10	C11	H111	180.0°	180.0°
O10	C10	C11	H112	54.8°	60.0°
O10	C10	C11	H113	54.8°	60.0°
O11	C10	C11	H111	0.6°	0.0°
O11	C10	C11	H112	125.8°	120.0°
O11	C10	C11	H113	124.7°	120.0°
H111	C11	H112	H113	112.7°	120.1°
O6	P1	O7	O8	120.3°	120.0°
O6	P1	O7	O9	130.0°	120.0°
O6	P1	O7	HO7	180.0°	60.0°
O6	P1	O8	O9	131.7°	120.0°
O6	P1	O9	HO9	180.0°	180.0°
O7	P1	O8	O9	109.8°	120.0°
O7	P1	O9	HO9	56.7°	59.9°
HO7	O7	P1	O8	59.7°	180.0°
HO7	O7	P1	O9	50.0°	60.0°
O8	P1	O9	HO9	53.3°	60.0°

Definition date:	2005-11-01
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	2BE5