Obsolete: NC2

NC2 was replaced with NC1 on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S1	C2	sing	1.82Å	1.81Å
S1	C6	sing	1.82Å	1.79Å
C2	N3	sing	1.45Å	1.46Å
C2	C9	sing	1.52Å	1.58Å
C2	H2	sing	1.10Å	1.11Å
N3	C4	sing	1.45Å	1.38Å
N3	HN3	sing	1.02Å	1.02Å
C4	C5	doub	1.54Å	1.55Å
C4	C19	sing	1.50Å	1.56Å
C5	C6	sing	1.54Å	1.52Å
C5	C22	sing	1.50Å	1.47Å
C6	H6C1	sing	1.10Å	1.11Å
C6	H6C2	sing	1.10Å	1.11Å
C7	O8	doub	1.23Å	1.25Å
C7	C9	sing	1.52Å	1.57Å
C7	OG	sing	1.36Å	1.40Å
C9	N10	sing	1.44Å	1.51Å
C9	H9	sing	1.09Å	1.12Å
N10	C11	sing	1.39Å	1.45Å
N10	H10	sing	1.02Å	1.02Å
C11	O12	doub	1.23Å	1.26Å
C11	C13	sing	1.52Å	1.53Å
C13	C14	sing	1.51Å	1.50Å
C13	H131	sing	1.10Å	1.11Å
C13	H132	sing	1.10Å	1.12Å
C14	S15	sing	1.70Å	1.67Å	Aromatic
C14	C18	doub	1.36Å	1.48Å	Aromatic
S15	C16	sing	1.71Å	1.70Å	Aromatic
C16	C17	doub	1.38Å	1.36Å	Aromatic
C16	H16	sing	1.08Å	1.10Å
C17	C18	sing	1.43Å	1.40Å	Aromatic
C17	H17	sing	1.08Å	1.10Å
C18	H18	sing	1.08Å	1.10Å
C19	O20	sing	1.36Å	1.24Å
C19	O21	doub	1.22Å	1.22Å
O1	C	doub	1.22Å	80.63Å
O20	H20	sing	0.98Å	0.95Å
C22	C23	doub	1.34Å	1.36Å
C22	H221	sing	1.09Å	1.10Å
C23	C24	sing	1.47Å	1.48Å
C23	H231	sing	1.09Å	1.11Å
C24	C25	sing	1.39Å	1.45Å	Aromatic
C24	C29	doub	1.39Å	1.52Å	Aromatic
C25	C26	doub	1.39Å	1.51Å	Aromatic
C25	N30	sing	1.43Å	1.39Å
C26	C27	sing	1.40Å	1.38Å	Aromatic
C26	H26	sing	1.09Å	1.10Å
C27	C28	doub	1.39Å	1.51Å	Aromatic
C27	N33	sing	1.42Å	1.35Å
C28	C29	sing	1.40Å	1.37Å	Aromatic
C28	H28	sing	1.09Å	1.10Å
C29	H29	sing	1.09Å	1.10Å
N30	O31	sing	1.43Å	1.47Å
N30	O32	doub	1.28Å	1.37Å
N33	O34	sing	1.43Å	1.50Å
N33	O35	doub	1.28Å	1.38Å
N	CA	sing	1.44Å	1.46Å
N	HN1	sing	1.01Å	1.02Å
N	HN2	sing	1.01Å	1.02Å
CA	CB	sing	1.52Å	1.60Å
CA	C	sing	1.51Å	1.81Å
CA	HA	sing	1.10Å	1.11Å
CB	OG	sing	1.43Å	1.38Å
CB	HBC1	sing	1.09Å	1.11Å
CB	HBC2	sing	1.10Å	1.11Å
O	C	sing	1.36Å	1.49Å
O	H	sing	0.98Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	S1	C6	103.6°	98.2°
S1	C2	N3	115.1°	111.0°
S1	C2	C9	110.8°	109.0°
S1	C2	H2	107.2°	108.7°
S1	C6	C5	121.1°	111.8°
S1	C6	H6C1	108.1°	107.6°
S1	C6	H6C2	108.1°	108.4°
N3	C2	C9	109.1°	109.6°
N3	C2	H2	107.1°	109.9°
C2	N3	C4	130.3°	119.5°
C2	N3	HN3	105.0°	116.6°
C9	C2	H2	107.2°	108.6°
C2	C9	C7	109.1°	110.3°
C2	C9	N10	113.6°	109.9°
C2	C9	H9	109.3°	110.3°
C4	N3	HN3	104.9°	117.0°
N3	C4	C5	122.0°	111.0°
N3	C4	C19	112.9°	106.4°
C5	C4	C19	125.1°	110.7°
C4	C5	C6	117.6°	112.5°
C4	C5	C22	123.9°	111.0°
C4	C19	O20	123.6°	110.7°
C4	C19	O21	112.4°	125.0°
C6	C5	C22	118.5°	108.4°
C5	C6	H6C1	108.0°	110.5°
C5	C6	H6C2	108.0°	111.2°
C5	C22	C23	123.6°	123.4°
C5	C22	H221	118.2°	115.7°
H6C1	C6	H6C2	101.8°	107.2°
O8	C7	C9	121.3°	122.7°
O8	C7	OG	126.8°	125.1°
C9	C7	OG	111.7°	112.2°
C7	C9	N10	106.1°	112.2°
C7	C9	H9	109.3°	107.5°
C7	OG	CB	115.2°	115.8°
N10	C9	H9	109.3°	106.5°
C9	N10	C11	120.6°	122.8°
C9	N10	H10	119.7°	118.6°
C11	N10	H10	119.7°	118.7°
N10	C11	O12	124.1°	124.8°
N10	C11	C13	115.1°	111.7°
O12	C11	C13	120.8°	123.5°
C11	C13	C14	109.5°	113.3°
C11	C13	H131	112.2°	108.8°
C11	C13	H132	112.2°	108.6°
C14	C13	H131	112.2°	109.5°
C14	C13	H132	112.2°	109.8°
C13	C14	S15	119.4°	118.7°
C13	C14	C18	127.6°	127.6°
H131	C13	H132	98.2°	106.5°
S15	C14	C18	113.0°	113.7°
C14	S15	C16	93.6°	91.0°
C14	C18	C17	105.4°	111.2°
C14	C18	H18	127.3°	124.5°
S15	C16	C17	109.4°	112.0°
S15	C16	H16	125.3°	120.4°
C17	C16	H16	125.3°	127.6°
C16	C17	C18	118.6°	112.1°
C16	C17	H17	120.7°	123.4°
C18	C17	H17	120.7°	124.5°
C17	C18	H18	127.3°	124.3°
O20	C19	O21	124.0°	124.3°
C19	O20	H20	123.6°	111.9°
O1	C	CA	153.2°	125.1°
O1	C	O	60.6°	122.9°
C23	C22	H221	118.2°	120.9°
C22	C23	C24	124.4°	125.3°
C22	C23	H231	106.9°	119.1°
C24	C23	H231	106.9°	115.7°
C23	C24	C25	122.9°	120.9°
C23	C24	C29	118.4°	118.0°
C25	C24	C29	118.7°	121.1°
C24	C25	C26	118.0°	119.4°
C24	C25	N30	126.3°	121.8°
C24	C29	C28	121.0°	119.4°
C24	C29	H29	119.5°	121.5°
C26	C25	N30	115.7°	118.8°
C25	C26	C27	122.0°	120.0°
C25	C26	H26	119.0°	120.1°
C25	N30	O31	124.3°	119.6°
C25	N30	O32	120.0°	123.0°
C27	C26	H26	119.0°	119.9°
C26	C27	C28	119.4°	120.0°
C26	C27	N33	120.4°	120.0°
C28	C27	N33	120.2°	120.0°
C27	C28	C29	121.0°	120.0°
C27	C28	H28	119.5°	120.5°
C27	N33	O34	119.9°	119.8°
C27	N33	O35	120.8°	123.1°
C29	C28	H28	119.5°	119.5°
C28	C29	H29	119.5°	119.0°
O31	N30	O32	115.7°	117.4°
O34	N33	O35	119.2°	117.1°
CA	N	HN1	128.1°	119.0°
CA	N	HN2	128.2°	118.9°
N	CA	CB	108.7°	111.7°
N	CA	C	112.8°	107.4°
N	CA	HA	112.5°	105.4°
HN1	N	HN2	79.9°	120.7°
CB	CA	C	108.6°	110.5°
CB	CA	HA	112.5°	111.7°
CA	CB	OG	140.1°	109.2°
CA	CB	HBC1	101.8°	111.0°
CA	CB	HBC2	101.8°	111.6°
C	CA	HA	101.5°	110.0°
CA	C	O	102.8°	111.9°
OG	CB	HBC1	101.8°	107.9°
OG	CB	HBC2	101.8°	108.7°
HBC1	CB	HBC2	106.1°	108.4°
C	O	H	60.6°	115.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	C2	N3	C9	125.3°	120.4°
S1	C2	N3	H2	119.0°	120.3°
S1	C2	C9	H2	116.6°	118.3°
S1	C2	N3	C4	18.1°	60.9°
S1	C2	N3	HN3	107.2°	149.1°
C2	S1	C6	C5	34.8°	53.5°
C2	S1	C6	H6C1	90.5°	175.0°
C2	S1	C6	H6C2	160.0°	69.4°
S1	C2	C9	C7	163.3°	178.3°
S1	C2	C9	N10	45.1°	57.5°
S1	C2	C9	H9	77.2°	59.6°
C6	S1	C2	N3	31.2°	51.4°
C6	S1	C2	C9	93.1°	172.2°
C6	S1	C2	H2	150.2°	69.6°
S1	C6	C5	C4	21.8°	60.2°
S1	C6	C5	H6C1	125.3°	119.8°
S1	C6	C5	H6C2	125.3°	121.3°
S1	C6	C5	C22	157.8°	176.7°
S1	C6	H6C1	H6C2	113.7°	116.4°
N3	C2	C9	H2	115.7°	120.1°
C2	N3	C4	HN3	125.3°	149.9°
C2	N3	C4	C5	0.3°	60.0°
C2	N3	C4	C19	179.3°	179.4°
N3	C2	C9	C7	35.6°	60.1°
N3	C2	C9	N10	82.6°	64.1°
N3	C2	C9	H9	155.0°	178.8°
C9	C2	N3	C4	107.2°	178.7°
C9	C2	N3	HN3	127.5°	28.7°
C2	C9	C7	O8	125.3°	60.4°
C2	C9	C7	N10	122.8°	122.9°
C2	C9	C7	H9	119.5°	120.4°
C2	C9	C7	OG	50.6°	119.2°
C2	C9	N10	H9	122.4°	119.5°
C2	C9	N10	C11	107.2°	149.6°
C2	C9	N10	H10	72.8°	30.5°
H2	C2	N3	C4	137.1°	59.4°
H2	C2	N3	HN3	11.8°	90.6°
H2	C2	C9	C7	80.1°	60.0°
H2	C2	C9	N10	161.7°	175.8°
H2	C2	C9	H9	39.4°	58.7°
N3	C4	C5	C19	179.5°	117.9°
N3	C4	C5	C6	0.9°	57.2°
N3	C4	C5	C22	178.6°	178.9°
N3	C4	C19	O20	179.5°	117.7°
N3	C4	C19	O21	0.4°	62.5°
HN3	N3	C4	C5	125.6°	150.1°
HN3	N3	C4	C19	53.9°	29.5°
C4	C5	C6	C22	179.6°	123.1°
C4	C5	C6	H6C1	103.5°	180.0°
C4	C5	C6	H6C2	147.0°	61.1°
C5	C4	C19	O20	1.0°	121.6°
C5	C4	C19	O21	179.1°	58.2°
C4	C5	C22	C23	179.8°	40.0°
C4	C5	C22	H221	0.2°	139.3°
C19	C4	C5	C6	179.6°	175.2°
C19	C4	C5	C22	0.8°	63.2°
C4	C19	O20	O21	179.8°	179.8°
C4	C19	O20	H20	180.0°	179.9°
C5	C6	H6C1	H6C2	113.6°	121.3°
C6	C5	C22	C23	0.6°	84.0°
C6	C5	C22	H221	179.4°	96.7°
C22	C5	C6	H6C1	76.9°	56.9°
C22	C5	C6	H6C2	32.5°	62.0°
C5	C22	C23	H221	180.0°	179.3°
C5	C22	C23	C24	178.1°	179.6°
C5	C22	C23	H231	56.6°	0.7°
O8	C7	C9	OG	175.9°	179.5°
O8	C7	C9	N10	2.6°	176.7°
O8	C7	C9	H9	115.2°	60.0°
O8	C7	OG	CB	64.5°	0.1°
C7	C9	N10	H9	117.8°	117.4°
C7	C9	N10	C11	132.9°	87.4°
C7	C9	N10	H10	47.1°	92.6°
C9	C7	OG	CB	119.8°	179.5°
OG	C7	C9	N10	173.3°	3.7°
OG	C7	C9	H9	68.9°	120.5°
C7	OG	CB	CA	95.6°	90.0°
C7	OG	CB	HBC1	139.1°	149.3°
C7	OG	CB	HBC2	29.6°	31.9°
C9	N10	C11	H10	180.0°	180.0°
C9	N10	C11	O12	0.1°	0.0°
C9	N10	C11	C13	179.6°	179.7°
H9	C9	N10	C11	15.2°	30.0°
H9	C9	N10	H10	164.8°	150.0°
N10	C11	O12	C13	179.6°	179.7°
N10	C11	C13	C14	109.2°	147.8°
N10	C11	C13	H131	16.1°	90.0°
N10	C11	C13	H132	125.5°	25.6°
H10	N10	C11	O12	179.9°	180.0°
H10	N10	C11	C13	0.4°	0.2°
O12	C11	C13	C14	71.1°	31.9°
O12	C11	C13	H131	163.6°	90.2°
O12	C11	C13	H132	54.2°	154.2°
C11	C13	C14	H131	125.3°	121.8°
C11	C13	C14	H132	125.3°	121.6°
C11	C13	H131	H132	118.1°	116.9°
C11	C13	C14	S15	96.2°	121.7°
C11	C13	C14	C18	84.1°	58.3°
C14	C13	H131	H132	118.1°	118.6°
C13	C14	S15	C18	179.8°	180.0°
C13	C14	S15	C16	178.8°	180.0°
C13	C14	C18	C17	178.4°	180.0°
C13	C14	C18	H18	1.6°	0.0°
H131	C13	C14	S15	29.1°	0.0°
H131	C13	C14	C18	150.6°	180.0°
H132	C13	C14	S15	138.5°	116.6°
H132	C13	C14	C18	41.2°	63.4°
C14	S15	C16	C17	0.3°	0.0°
C14	S15	C16	H16	179.7°	179.9°
S15	C14	C18	C17	1.3°	0.0°
S15	C14	C18	H18	178.7°	180.0°
C18	C14	S15	C16	0.9°	0.0°
C14	C18	C17	C16	1.2°	0.0°
C14	C18	C17	H18	180.0°	180.0°
C14	C18	C17	H17	178.8°	180.0°
S15	C16	C17	H16	180.0°	179.9°
S15	C16	C17	C18	0.6°	0.0°
S15	C16	C17	H17	179.4°	179.9°
C16	C17	C18	H17	180.0°	179.9°
C16	C17	C18	H18	178.8°	180.0°
H16	C16	C17	C18	179.5°	179.9°
H16	C16	C17	H17	0.5°	0.1°
H17	C17	C18	H18	1.2°	0.1°
O21	C19	O20	H20	0.2°	0.1°
O1	C	CA	N	80.7°	35.8°
O1	C	CA	CB	158.7°	86.2°
O1	C	CA	O	48.2°	177.8°
O1	C	CA	HA	40.0°	150.0°
O1	C	O	H	180.0°	0.0°
C22	C23	C24	H231	125.3°	178.9°
C22	C23	C24	C25	179.7°	91.2°
C22	C23	C24	C29	0.2°	88.9°
H221	C22	C23	C24	1.9°	0.3°
H221	C22	C23	H231	123.4°	178.6°
C23	C24	C25	C29	179.9°	179.9°
C23	C24	C25	C26	179.4°	180.0°
C23	C24	C25	N30	0.1°	0.1°
C23	C24	C29	C28	179.2°	180.0°
C23	C24	C29	H29	0.8°	0.1°
H231	C23	C24	C25	54.4°	89.9°
H231	C23	C24	C29	125.5°	90.1°
C24	C25	C26	N30	179.4°	179.9°
C24	C25	C26	C27	0.3°	0.1°
C24	C25	C26	H26	179.7°	180.0°
C25	C24	C29	C28	0.9°	0.0°
C25	C24	C29	H29	179.1°	180.0°
C24	C25	N30	O31	0.4°	180.0°
C24	C25	N30	O32	179.7°	0.1°
C29	C24	C25	C26	0.7°	0.1°
C29	C24	C25	N30	180.0°	180.0°
C24	C29	C28	C27	0.5°	0.0°
C24	C29	C28	H29	180.0°	180.0°
C24	C29	C28	H28	179.5°	180.0°
C25	C26	C27	H26	180.0°	179.9°
C25	C26	C27	C28	0.0°	0.1°
C25	C26	C27	N33	179.7°	180.0°
C26	C25	N30	O31	179.7°	0.1°
C26	C25	N30	O32	0.4°	179.9°
N30	C25	C26	C27	179.7°	180.0°
N30	C25	C26	H26	0.3°	0.1°
C25	N30	O31	O32	179.9°	179.9°
C26	C27	C28	N33	179.7°	179.9°
C26	C27	C28	C29	0.1°	0.1°
C26	C27	C28	H28	179.9°	180.0°
C26	C27	N33	O34	179.9°	179.9°
C26	C27	N33	O35	0.1°	0.2°
H26	C26	C27	C28	180.0°	180.0°
H26	C26	C27	N33	0.3°	0.1°
C27	C28	C29	H28	180.0°	180.0°
C27	C28	C29	H29	179.5°	180.0°
C28	C27	N33	O34	0.1°	0.0°
C28	C27	N33	O35	179.8°	179.9°
N33	C27	C28	C29	179.8°	179.9°
N33	C27	C28	H28	0.2°	0.1°
C27	N33	O34	O35	180.0°	179.9°
H28	C28	C29	H29	0.5°	0.0°
CA	N	HN1	HN2	131.1°	166.2°
N	CA	CB	C	123.1°	119.5°
N	CA	CB	HA	125.3°	117.7°
N	CA	C	HA	120.7°	114.2°
N	CA	CB	OG	92.5°	178.2°
N	CA	CB	HBC1	142.3°	59.4°
N	CA	CB	HBC2	32.8°	61.7°
N	CA	C	O	128.8°	146.4°
HN1	N	CA	CB	87.1°	35.3°
HN1	N	CA	C	152.3°	86.0°
HN1	N	CA	HA	38.2°	156.8°
HN2	N	CA	CB	22.3°	158.2°
HN2	N	CA	C	98.2°	80.5°
HN2	N	CA	HA	147.6°	36.7°
CB	CA	C	HA	118.7°	123.8°
CA	CB	OG	HBC1	125.3°	120.8°
CA	CB	OG	HBC2	125.2°	121.9°
CA	CB	HBC1	HBC2	106.2°	122.9°
CB	CA	C	O	110.6°	91.6°
C	CA	CB	OG	30.7°	58.8°
C	CA	CB	HBC1	94.6°	60.1°
C	CA	CB	HBC2	155.9°	178.9°
CA	C	O	H	22.6°	177.9°
HA	CA	CB	OG	142.3°	64.1°
HA	CA	CB	HBC1	17.0°	177.1°
HA	CA	CB	HBC2	92.5°	56.1°
HA	CA	C	O	8.2°	32.2°
OG	CB	HBC1	HBC2	106.2°	117.5°

Definition date:	2004-12-16
Last modified:	2008-10-14
Release status:	OBS
Processing site:	EBI
Replaced by:	NC1