DSV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	doub	1.38Å	1.41Å	Aromatic
C1	C6	sing	1.39Å	1.42Å	Aromatic
C1	S21	sing	1.76Å	1.77Å
C3	C2	sing	1.40Å	1.41Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
S10	C3	sing	1.76Å	1.77Å	Aromatic
C4	C3	doub	1.39Å	1.40Å	Aromatic
C12	C4	sing	1.47Å	1.49Å	Aromatic
C4	C5	sing	1.41Å	1.41Å	Aromatic
H5	C5	sing	1.08Å	1.08Å
C5	C6	doub	1.37Å	1.42Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C11	S10	sing	1.76Å	1.77Å	Aromatic
CY1	C11	doub	1.40Å	1.41Å	Aromatic
C11	C12	sing	1.39Å	1.40Å	Aromatic
CY2	C12	doub	1.41Å	1.41Å	Aromatic
CZ1	CY1	sing	1.38Å	1.42Å	Aromatic
HY1	CY1	sing	1.08Å	1.08Å
HZ1	CZ1	sing	1.08Å	1.08Å
CZ1	CZ2	doub	1.39Å	1.42Å	Aromatic
HZ2	CZ2	sing	1.08Å	1.08Å
CZ2	CY2	sing	1.37Å	1.42Å	Aromatic
CY2	HY2	sing	1.08Å	1.08Å
N24	S21	sing	1.66Å	1.74Å
O22	S21	doub	1.42Å	1.43Å
S21	O23	doub	1.42Å	1.43Å
HN24	N24	sing	0.97Å	1.00Å
N24	C10	sing	1.46Å	1.46Å
C37	C10	sing	1.51Å	1.54Å
C10	CBC	sing	1.53Å	1.54Å
C10	H10	sing	1.09Å	1.10Å
CC2	CBC	sing	1.53Å	1.54Å
CBC	HBC	sing	1.09Å	1.10Å
CBC	CC1	sing	1.53Å	1.53Å
HC1	CC1	sing	1.09Å	1.10Å
CC1	HC1A	sing	1.09Å	1.10Å
CC1	HC1B	sing	1.09Å	1.10Å
HC2	CC2	sing	1.09Å	1.10Å
HC2B	CC2	sing	1.09Å	1.10Å
HC2A	CC2	sing	1.09Å	1.10Å
O39	C37	doub	1.21Å	1.19Å
O40	C37	sing	1.34Å	1.35Å
O40	HO40	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	120.1°	120.1°
C2	C1	S21	119.9°	120.0°
C1	C2	C3	118.3°	120.5°
C1	C2	H2	120.9°	119.8°
C6	C1	S21	120.0°	119.9°
C1	C6	C5	120.0°	120.2°
C1	C6	H6	120.0°	119.9°
C1	S21	N24	107.0°	107.2°
C1	S21	O22	109.7°	106.4°
C1	S21	O23	109.2°	106.4°
C3	C2	H2	120.8°	119.8°
C2	C3	S10	126.4°	129.7°
C2	C3	C4	121.8°	119.7°
S10	C3	C4	111.8°	110.7°
C3	S10	C11	91.7°	93.0°
C3	C4	C12	112.2°	112.8°
C3	C4	C5	119.7°	119.2°
C12	C4	C5	128.1°	128.0°
C4	C12	C11	112.3°	112.8°
C4	C12	CY2	128.1°	128.0°
C4	C5	H5	120.3°	119.8°
C4	C5	C6	119.5°	120.4°
H5	C5	C6	120.3°	119.8°
C5	C6	H6	120.0°	119.8°
S10	C11	CY1	126.3°	129.6°
S10	C11	C12	111.8°	110.7°
CY1	C11	C12	121.9°	119.7°
C11	CY1	CZ1	118.7°	120.4°
C11	CY1	HY1	120.7°	119.8°
C11	C12	CY2	119.6°	119.2°
C12	CY2	CZ2	119.3°	120.3°
C12	CY2	HY2	120.4°	119.8°
CZ1	CY1	HY1	120.7°	119.8°
CY1	CZ1	HZ1	120.4°	119.9°
CY1	CZ1	CZ2	119.3°	120.1°
HZ1	CZ1	CZ2	120.3°	119.9°
CZ1	CZ2	HZ2	119.8°	119.9°
CZ1	CZ2	CY2	120.3°	120.2°
HZ2	CZ2	CY2	119.9°	119.9°
CZ2	CY2	HY2	120.3°	119.8°
N24	S21	O22	104.9°	106.4°
N24	S21	O23	105.4°	106.4°
S21	N24	HN24	106.5°	120.0°
S21	N24	C10	118.8°	120.0°
O22	S21	O23	119.8°	123.2°
HN24	N24	C10	106.5°	120.0°
N24	C10	C37	110.3°	109.5°
N24	C10	CBC	110.8°	109.5°
N24	C10	H10	108.6°	109.4°
C37	C10	CBC	111.2°	109.5°
C37	C10	H10	108.2°	109.5°
C10	C37	O39	124.2°	120.0°
C10	C37	O40	111.8°	120.0°
CBC	C10	H10	107.6°	109.5°
C10	CBC	CC2	111.5°	109.5°
C10	CBC	HBC	106.0°	109.4°
C10	CBC	CC1	112.6°	109.5°
CC2	CBC	HBC	109.1°	109.5°
CC2	CBC	CC1	109.7°	109.5°
CBC	CC2	HC2	109.5°	109.5°
CBC	CC2	HC2B	109.5°	109.5°
CBC	CC2	HC2A	109.4°	109.5°
HBC	CBC	CC1	107.8°	109.5°
CBC	CC1	HC1	109.5°	109.5°
CBC	CC1	HC1A	109.5°	109.5°
CBC	CC1	HC1B	109.5°	109.4°
HC1	CC1	HC1A	109.4°	109.5°
HC1	CC1	HC1B	109.4°	109.4°
HC1A	CC1	HC1B	109.5°	109.5°
HC2	CC2	HC2B	109.4°	109.4°
HC2	CC2	HC2A	109.5°	109.4°
HC2B	CC2	HC2A	109.5°	109.5°
O39	C37	O40	124.0°	120.0°
C37	O40	HO40	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	S21	179.7°	179.8°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	S10	178.3°	180.0°
C1	C2	C3	C4	1.6°	0.0°
C2	C1	C6	C5	9.4°	0.1°
C2	C1	C6	H6	170.6°	179.7°
C2	C1	S21	N24	126.1°	89.7°
C2	C1	S21	O22	12.8°	23.8°
C2	C1	S21	O23	120.3°	156.7°
C6	C1	C2	C3	5.3°	0.0°
C6	C1	C2	H2	174.7°	180.0°
C1	C6	C5	C4	6.5°	0.1°
C1	C6	C5	H5	173.5°	180.0°
C1	C6	C5	H6	180.0°	179.6°
C6	C1	S21	N24	53.6°	90.0°
C6	C1	S21	O22	166.8°	156.4°
C6	C1	S21	O23	60.0°	23.5°
S21	C1	C2	C3	174.3°	179.7°
S21	C1	C2	H2	5.7°	0.3°
S21	C1	C6	C5	170.3°	179.7°
S21	C1	C6	H6	9.7°	0.1°
C1	S21	N24	O22	116.5°	113.6°
C1	S21	N24	O23	116.1°	113.5°
C1	S21	O22	O23	127.4°	123.0°
C1	S21	N24	HN24	95.1°	115.0°
C1	S21	N24	C10	144.9°	65.0°
C2	C3	S10	C4	180.0°	180.0°
C2	C3	C4	C12	175.4°	180.0°
C2	C3	C4	C5	4.5°	0.1°
C2	C3	S10	C11	176.6°	180.0°
H2	C2	C3	S10	1.7°	0.0°
H2	C2	C3	C4	178.4°	180.0°
S10	C3	C4	C12	4.7°	0.0°
S10	C3	C4	C5	175.4°	179.9°
C3	S10	C11	CY1	178.7°	180.0°
C3	S10	C11	C12	1.2°	0.0°
C3	C4	C12	C5	179.9°	179.9°
C3	C4	C5	H5	179.6°	180.0°
C3	C4	C5	C6	0.4°	0.1°
C4	C3	S10	C11	3.4°	0.0°
C3	C4	C12	C11	3.8°	0.0°
C3	C4	C12	CY2	176.1°	180.0°
C12	C4	C5	H5	0.5°	0.1°
C12	C4	C5	C6	179.4°	180.0°
C4	C12	C11	S10	1.2°	0.0°
C4	C12	C11	CY1	178.9°	180.0°
C4	C12	C11	CY2	179.9°	180.0°
C4	C12	CY2	CZ2	176.0°	180.0°
C4	C12	CY2	HY2	4.0°	0.1°
C4	C5	H5	C6	180.0°	179.9°
C4	C5	C6	H6	173.5°	179.7°
C5	C4	C12	C11	176.3°	180.0°
C5	C4	C12	CY2	3.8°	0.1°
H5	C5	C6	H6	6.5°	0.4°
S10	C11	CY1	C12	179.9°	179.9°
S10	C11	C12	CY2	178.7°	180.0°
S10	C11	CY1	CZ1	179.8°	180.0°
S10	C11	CY1	HY1	0.2°	0.1°
CY1	C11	C12	CY2	1.2°	0.1°
C11	CY1	CZ1	HY1	180.0°	180.0°
C11	CY1	CZ1	HZ1	173.9°	179.9°
C11	CY1	CZ1	CZ2	6.1°	0.0°
C12	C11	CY1	CZ1	0.1°	0.0°
C12	C11	CY1	HY1	179.9°	180.0°
C11	C12	CY2	CZ2	3.9°	0.1°
C11	C12	CY2	HY2	176.1°	180.0°
C12	CY2	CZ2	CZ1	10.2°	0.1°
C12	CY2	CZ2	HZ2	169.8°	180.0°
C12	CY2	CZ2	HY2	180.0°	179.9°
CY1	CZ1	HZ1	CZ2	180.0°	179.9°
CY1	CZ1	CZ2	HZ2	168.7°	179.9°
CY1	CZ1	CZ2	CY2	11.3°	0.1°
HY1	CY1	CZ1	HZ1	6.1°	0.0°
HY1	CY1	CZ1	CZ2	173.9°	180.0°
HZ1	CZ1	CZ2	HZ2	11.3°	0.0°
HZ1	CZ1	CZ2	CY2	168.7°	179.9°
CZ1	CZ2	HZ2	CY2	180.0°	179.9°
CZ1	CZ2	CY2	HY2	169.8°	180.0°
HZ2	CZ2	CY2	HY2	10.1°	0.1°
N24	S21	O22	O23	117.9°	122.9°
S21	N24	HN24	C10	127.7°	180.0°
S21	N24	C10	C37	163.5°	95.0°
S21	N24	C10	CBC	73.0°	145.0°
S21	N24	C10	H10	45.0°	25.0°
O22	S21	N24	HN24	21.4°	131.5°
O22	S21	N24	C10	98.6°	48.6°
O23	S21	N24	HN24	148.7°	1.4°
O23	S21	N24	C10	28.7°	178.5°
HN24	N24	C10	C37	76.6°	85.0°
HN24	N24	C10	CBC	47.0°	35.0°
HN24	N24	C10	H10	165.0°	155.0°
N24	C10	C37	CBC	123.4°	120.0°
N24	C10	C37	H10	118.7°	120.0°
N24	C10	CBC	H10	118.6°	120.0°
N24	C10	CBC	CC2	66.9°	60.0°
N24	C10	CBC	HBC	51.7°	60.1°
N24	C10	CBC	CC1	169.3°	180.0°
N24	C10	C37	O39	131.1°	0.0°
N24	C10	C37	O40	49.0°	180.0°
C37	C10	CBC	H10	118.3°	120.0°
C37	C10	CBC	CC2	56.2°	180.0°
C37	C10	CBC	HBC	174.7°	60.0°
C37	C10	CBC	CC1	67.6°	60.0°
C10	C37	O39	O40	179.9°	180.0°
C10	C37	O40	HO40	179.9°	180.0°
C10	CBC	CC2	HBC	116.6°	120.0°
C10	CBC	CC2	CC1	125.4°	120.0°
C10	CBC	HBC	CC1	120.8°	120.0°
C10	CBC	CC1	HC1	110.7°	60.0°
C10	CBC	CC1	HC1A	9.3°	60.0°
C10	CBC	CC1	HC1B	129.3°	180.0°
C10	CBC	CC2	HC2	40.1°	60.0°
C10	CBC	CC2	HC2B	160.1°	60.0°
C10	CBC	CC2	HC2A	79.9°	180.0°
CBC	C10	C37	O39	7.7°	120.0°
CBC	C10	C37	O40	172.4°	60.0°
H10	C10	CBC	CC2	174.5°	60.0°
H10	C10	CBC	HBC	67.0°	180.0°
H10	C10	CBC	CC1	50.7°	60.0°
H10	C10	C37	O39	110.3°	119.9°
H10	C10	C37	O40	69.6°	60.0°
CC2	CBC	HBC	CC1	119.1°	120.0°
CC2	CBC	CC1	HC1	14.1°	180.0°
CC2	CBC	CC1	HC1A	134.0°	60.0°
CC2	CBC	CC1	HC1B	105.9°	60.0°
CBC	CC2	HC2	HC2B	120.0°	120.0°
CBC	CC2	HC2	HC2A	120.0°	120.0°
CBC	CC2	HC2B	HC2A	120.0°	120.0°
HBC	CBC	CC1	HC1	132.7°	59.9°
HBC	CBC	CC1	HC1A	107.3°	179.9°
HBC	CBC	CC1	HC1B	12.8°	60.0°
HBC	CBC	CC2	HC2	156.7°	60.0°
HBC	CBC	CC2	HC2B	83.3°	180.0°
HBC	CBC	CC2	HC2A	36.7°	60.0°
CBC	CC1	HC1	HC1A	120.0°	120.0°
CBC	CC1	HC1	HC1B	120.0°	120.0°
CBC	CC1	HC1A	HC1B	120.0°	120.0°
CC1	CBC	CC2	HC2	85.4°	180.0°
CC1	CBC	CC2	HC2B	34.6°	60.0°
CC1	CBC	CC2	HC2A	154.6°	60.0°
HC1	CC1	HC1A	HC1B	119.9°	120.0°
HC2	CC2	HC2B	HC2A	120.0°	120.0°
O39	C37	O40	HO40	0.0°	0.1°

Definition date:	2008-04-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2K2G