H52

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	S5	doub	1.42Å	1.49Å
S5	O2	doub	1.42Å	1.47Å
S5	N21	sing	1.66Å	1.71Å
S5	C5	sing	1.76Å	1.78Å
N21	C22	sing	1.45Å	1.52Å
N21	C27	sing	1.48Å	1.49Å
C22	C2M	sing	1.53Å	1.52Å
C22	C23	sing	1.54Å	1.53Å
C22	H22	sing	1.09Å	1.11Å
C2M	H2M1	sing	1.09Å	1.11Å
C2M	H2M2	sing	1.09Å	1.12Å
C2M	H2M3	sing	1.09Å	1.12Å
C23	N24	sing	1.41Å	1.52Å
C23	H231	sing	1.09Å	1.12Å
C23	H232	sing	1.09Å	1.12Å
N24	C25	sing	1.46Å	1.52Å
N24	H24	sing	1.01Å	1.02Å
C25	C26	sing	1.51Å	1.54Å
C25	H251	sing	1.09Å	1.11Å
C25	H252	sing	1.09Å	1.12Å
C26	C27	sing	1.54Å	1.52Å
C26	H261	sing	1.09Å	1.12Å
C26	H262	sing	1.09Å	1.11Å
C27	H271	sing	1.09Å	1.12Å
C27	H272	sing	1.09Å	1.11Å
C5	C10	doub	1.40Å	1.47Å	Aromatic
C5	C6	sing	1.36Å	1.38Å	Aromatic
C10	C4	sing	1.41Å	1.45Å	Aromatic
C10	C9	sing	1.42Å	1.43Å	Aromatic
C4	CM	sing	1.51Å	1.50Å
C4	C3	doub	1.36Å	1.38Å	Aromatic
CM	HM1	sing	1.09Å	1.11Å
CM	HM2	sing	1.09Å	1.12Å
CM	HM3	sing	1.09Å	1.12Å
C9	C8	doub	1.40Å	1.42Å	Aromatic
C9	C1	sing	1.40Å	1.43Å	Aromatic
C8	C7	sing	1.36Å	1.37Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C7	C6	doub	1.39Å	1.42Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
C6	H6	sing	1.08Å	1.10Å
C1	N2	doub	1.31Å	1.31Å	Aromatic
C1	H1	sing	1.08Å	1.10Å
N2	C3	sing	1.33Å	1.35Å	Aromatic
C3	H3	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	S5	O2	117.6°	125.3°
O1	S5	N21	114.2°	105.8°
O1	S5	C5	108.8°	105.8°
O2	S5	N21	104.1°	105.7°
O2	S5	C5	104.6°	105.7°
N21	S5	C5	106.6°	107.4°
S5	N21	C22	116.4°	119.0°
S5	N21	C27	122.5°	118.9°
S5	C5	C10	126.6°	120.3°
S5	C5	C6	112.7°	120.3°
C22	N21	C27	119.0°	122.1°
N21	C22	C2M	113.7°	109.4°
N21	C22	C23	116.5°	110.0°
N21	C22	H22	101.0°	109.3°
N21	C27	C26	112.3°	110.6°
N21	C27	H271	111.2°	109.2°
N21	C27	H272	111.2°	109.2°
C2M	C22	C23	109.5°	109.3°
C2M	C22	H22	109.4°	109.4°
C22	C2M	H2M1	110.7°	109.5°
C22	C2M	H2M2	113.7°	109.5°
C22	C2M	H2M3	110.7°	109.5°
C23	C22	H22	106.1°	109.4°
C22	C23	N24	108.0°	110.7°
C22	C23	H231	112.8°	109.3°
C22	C23	H232	112.8°	109.2°
H2M1	C2M	H2M2	110.6°	109.4°
H2M1	C2M	H2M3	99.6°	109.4°
H2M2	C2M	H2M3	110.7°	109.5°
N24	C23	H231	112.7°	109.2°
N24	C23	H232	112.7°	109.2°
C23	N24	C25	108.9°	112.3°
C23	N24	H24	112.4°	106.7°
H231	C23	H232	97.7°	109.2°
C25	N24	H24	112.4°	106.7°
N24	C25	C26	113.7°	109.6°
N24	C25	H251	110.7°	109.5°
N24	C25	H252	110.6°	109.5°
C26	C25	H251	110.6°	109.5°
C26	C25	H252	110.7°	109.4°
C25	C26	C27	111.4°	109.1°
C25	C26	H261	111.5°	109.5°
C25	C26	H262	111.5°	109.6°
H251	C25	H252	99.6°	109.4°
C27	C26	H261	111.5°	109.5°
C27	C26	H262	111.5°	109.5°
C26	C27	H271	111.2°	109.2°
C26	C27	H272	111.2°	109.2°
H261	C26	H262	98.9°	109.5°
H271	C27	H272	99.2°	109.2°
C10	C5	C6	120.5°	119.5°
C5	C10	C4	130.6°	122.3°
C5	C10	C9	116.3°	119.6°
C5	C6	C7	121.2°	121.0°
C5	C6	H6	118.0°	119.5°
C4	C10	C9	113.1°	118.2°
C10	C4	CM	127.2°	120.6°
C10	C4	C3	121.8°	118.7°
C10	C9	C8	121.0°	119.3°
C10	C9	C1	121.0°	118.6°
CM	C4	C3	111.0°	120.7°
C4	CM	HM1	106.0°	109.5°
C4	CM	HM2	127.1°	109.5°
C4	CM	HM3	106.0°	109.5°
C4	C3	N2	121.8°	121.9°
C4	C3	H3	120.2°	119.1°
HM1	CM	HM2	106.0°	109.4°
HM1	CM	HM3	103.4°	109.5°
HM2	CM	HM3	106.0°	109.4°
C8	C9	C1	118.0°	122.1°
C9	C8	C7	120.9°	119.5°
C9	C8	H8	121.6°	120.3°
C9	C1	N2	121.8°	119.9°
C9	C1	H1	123.4°	120.1°
C7	C8	H8	117.5°	120.2°
C8	C7	C6	120.0°	121.1°
C8	C7	H7	118.2°	119.5°
C6	C7	H7	121.8°	119.4°
C7	C6	H6	120.8°	119.5°
N2	C1	H1	114.7°	120.0°
C1	N2	C3	120.3°	122.7°
N2	C3	H3	118.0°	119.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	S5	O2	N21	127.6°	123.1°
O1	S5	O2	C5	120.8°	123.1°
O1	S5	N21	C5	120.1°	112.7°
O1	S5	N21	C22	138.7°	156.7°
O1	S5	N21	C27	24.9°	23.4°
O1	S5	C5	C10	79.5°	56.9°
O1	S5	C5	C6	105.6°	122.7°
O2	S5	N21	C5	110.2°	112.6°
O2	S5	N21	C22	9.1°	22.0°
O2	S5	N21	C27	154.5°	158.1°
O2	S5	C5	C10	47.0°	77.9°
O2	S5	C5	C6	127.9°	102.5°
S5	N21	C22	C27	164.2°	179.9°
S5	N21	C22	C2M	74.4°	29.4°
S5	N21	C22	C23	156.9°	90.7°
S5	N21	C22	H22	42.6°	149.1°
S5	N21	C27	C26	89.8°	139.0°
S5	N21	C27	H271	35.4°	100.7°
S5	N21	C27	H272	144.9°	18.8°
N21	S5	C5	C10	156.9°	169.6°
N21	S5	C5	C6	18.0°	10.1°
C5	S5	N21	C22	101.1°	90.6°
C5	S5	N21	C27	95.3°	89.3°
S5	C5	C10	C6	174.6°	179.7°
S5	C5	C10	C4	3.8°	0.6°
S5	C5	C10	C9	175.9°	179.8°
S5	C5	C6	C7	178.2°	180.0°
S5	C5	C6	H6	1.8°	0.1°
N21	C22	C2M	C23	132.2°	120.5°
N21	C22	C2M	H22	112.0°	119.7°
N21	C22	C23	H22	111.4°	120.1°
N21	C22	C2M	H2M1	54.7°	160.8°
N21	C22	C2M	H2M2	180.0°	40.8°
N21	C22	C2M	H2M3	54.7°	79.2°
N21	C22	C23	N24	66.5°	72.0°
N21	C22	C23	H231	58.8°	167.7°
N21	C22	C23	H232	168.3°	48.3°
C22	N21	C27	C26	73.4°	41.1°
C22	N21	C27	H271	161.4°	79.2°
C22	N21	C27	H272	51.9°	161.3°
C27	N21	C22	C2M	121.4°	150.5°
C27	N21	C22	C23	7.3°	89.4°
C27	N21	C22	H22	121.6°	30.8°
N21	C27	C26	C25	81.9°	39.4°
N21	C27	C26	H271	125.3°	120.3°
N21	C27	C26	H272	125.3°	120.3°
N21	C27	C26	H261	152.8°	80.5°
N21	C27	C26	H262	43.3°	159.4°
N21	C27	H271	H272	117.1°	119.4°
C2M	C22	C23	H22	117.9°	119.8°
C22	C2M	H2M1	H2M2	126.9°	120.0°
C22	C2M	H2M1	H2M3	116.5°	120.0°
C22	C2M	H2M2	H2M3	125.3°	120.1°
C2M	C22	C23	N24	162.8°	167.9°
C2M	C22	C23	H231	71.9°	47.6°
C2M	C22	C23	H232	37.6°	71.8°
C23	C22	C2M	H2M1	77.4°	78.7°
C23	C22	C2M	H2M2	47.8°	161.4°
C23	C22	C2M	H2M3	173.1°	41.3°
C22	C23	N24	H231	125.3°	120.3°
C22	C23	N24	H232	125.3°	120.3°
C22	C23	H231	H232	118.7°	119.4°
C22	C23	N24	C25	94.0°	64.7°
C22	C23	N24	H24	140.7°	178.7°
H22	C22	C2M	H2M1	166.8°	41.1°
H22	C22	C2M	H2M2	68.0°	78.9°
H22	C22	C2M	H2M3	57.3°	161.0°
H22	C22	C23	N24	44.9°	48.1°
H22	C22	C23	H231	170.2°	72.2°
H22	C22	C23	H232	80.3°	168.4°
H2M1	C2M	H2M2	H2M3	109.4°	120.0°
N24	C23	H231	H232	118.7°	119.4°
C23	N24	C25	H24	125.3°	116.6°
C23	N24	C25	C26	75.3°	89.4°
C23	N24	C25	H251	50.0°	150.5°
C23	N24	C25	H252	159.4°	30.6°
H231	C23	N24	C25	31.2°	175.0°
H231	C23	N24	H24	94.1°	58.4°
H232	C23	N24	C25	140.7°	55.6°
H232	C23	N24	H24	15.4°	61.0°
N24	C25	C26	H251	125.3°	120.1°
N24	C25	C26	H252	125.3°	120.0°
N24	C25	H251	H252	116.5°	119.9°
N24	C25	C26	C27	65.9°	95.4°
N24	C25	C26	H261	168.8°	24.5°
N24	C25	C26	H262	59.3°	144.6°
H24	N24	C25	C26	159.4°	154.0°
H24	N24	C25	H251	75.3°	33.9°
H24	N24	C25	H252	34.2°	86.0°
C26	C25	H251	H252	116.5°	119.9°
C25	C26	C27	H261	125.3°	119.9°
C25	C26	C27	H262	125.2°	120.0°
C25	C26	H261	H262	117.4°	120.2°
C25	C26	C27	H271	152.8°	159.6°
C25	C26	C27	H272	43.4°	80.9°
H251	C25	C26	C27	59.3°	144.5°
H251	C25	C26	H261	65.9°	95.6°
H251	C25	C26	H262	175.4°	24.6°
H252	C25	C26	C27	168.8°	24.6°
H252	C25	C26	H261	43.5°	144.5°
H252	C25	C26	H262	65.9°	95.3°
C27	C26	H261	H262	117.4°	120.1°
C26	C27	H271	H272	117.1°	119.4°
H261	C26	C27	H271	27.6°	39.8°
H261	C26	C27	H272	81.9°	159.2°
H262	C26	C27	H271	81.9°	80.4°
H262	C26	C27	H272	168.6°	39.1°
C5	C10	C4	C9	179.7°	179.2°
C5	C10	C4	CM	2.7°	0.6°
C5	C10	C4	C3	178.3°	179.7°
C5	C10	C9	C8	0.5°	0.5°
C5	C10	C9	C1	179.0°	179.7°
C10	C5	C6	C7	2.9°	0.3°
C10	C5	C6	H6	177.1°	179.7°
C6	C5	C10	C4	178.4°	179.8°
C6	C5	C10	C9	1.3°	0.6°
C5	C6	C7	C8	2.7°	0.0°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	H7	177.2°	180.0°
C10	C4	CM	C3	179.1°	179.8°
C10	C4	CM	HM1	54.7°	81.1°
C10	C4	CM	HM2	180.0°	38.9°
C10	C4	CM	HM3	54.7°	158.9°
C4	C10	C9	C8	179.8°	179.8°
C4	C10	C9	C1	0.7°	0.4°
C10	C4	C3	N2	0.3°	0.2°
C10	C4	C3	H3	179.7°	179.8°
C9	C10	C4	CM	177.7°	179.8°
C9	C10	C4	C3	1.4°	0.5°
C10	C9	C8	C1	179.5°	179.8°
C10	C9	C8	C7	0.6°	0.2°
C10	C9	C8	H8	179.4°	179.8°
C10	C9	C1	N2	1.6°	0.2°
C10	C9	C1	H1	178.4°	179.8°
C4	CM	HM1	HM2	137.4°	120.0°
C4	CM	HM1	HM3	111.3°	120.0°
C4	CM	HM2	HM3	125.3°	120.0°
CM	C4	C3	N2	179.4°	180.0°
CM	C4	C3	H3	0.6°	0.0°
C3	C4	CM	HM1	124.4°	98.7°
C3	C4	CM	HM2	0.9°	141.3°
C3	C4	CM	HM3	126.2°	21.3°
C4	C3	N2	C1	2.7°	0.0°
C4	C3	N2	H3	180.0°	180.0°
HM1	CM	HM2	HM3	109.5°	120.0°
C9	C8	C7	H8	180.0°	180.0°
C9	C8	C7	C6	0.9°	0.0°
C9	C8	C7	H7	179.0°	180.0°
C8	C9	C1	N2	177.9°	180.0°
C8	C9	C1	H1	2.1°	0.0°
C1	C9	C8	C7	178.8°	180.0°
C1	C9	C8	H8	1.2°	0.0°
C9	C1	N2	H1	180.0°	180.0°
C9	C1	N2	C3	3.4°	0.0°
C8	C7	C6	H7	180.0°	180.0°
C8	C7	C6	H6	177.2°	180.0°
H8	C8	C7	C6	179.0°	180.0°
H8	C8	C7	H7	1.0°	0.0°
H7	C7	C6	H6	2.8°	0.0°
C1	N2	C3	H3	177.3°	180.0°
H1	C1	N2	C3	176.6°	180.0°

Definition date:	2003-08-26
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1Q8U