Obsolete: INT

INT was replaced with 3TL on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.55Å
C1	C3	sing	1.53Å	1.52Å
C1	N1	sing	1.46Å	1.47Å
C1	H1	sing	1.09Å	1.12Å
C2	O1	sing	1.43Å	1.43Å
C2	H21	sing	1.09Å	1.11Å
C2	H22	sing	1.09Å	1.11Å
O1	HO1	sing	0.97Å	0.95Å
C3	C4	sing	1.51Å	1.52Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.11Å
C4	C5	sing	1.38Å	1.42Å	Aromatic
C4	C9	doub	1.38Å	1.41Å	Aromatic
C5	C6	doub	1.38Å	1.41Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	C7	sing	1.38Å	1.41Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C7	C8	doub	1.38Å	1.41Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
C8	C9	sing	1.38Å	1.41Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C9	H9	sing	1.08Å	1.10Å
N1	C11	sing	1.35Å	1.33Å
N1	HN1	sing	0.97Å	1.02Å
C10	C11	sing	1.51Å	1.55Å
C10	C12	sing	1.53Å	1.54Å
C10	N2	sing	1.46Å	1.50Å
C10	H10	sing	1.09Å	1.12Å
C11	O2	doub	1.21Å	1.23Å
C12	CG1	sing	1.53Å	1.53Å
C12	CG2	sing	1.53Å	1.54Å
C12	H12	sing	1.09Å	1.11Å
CG1	HG11	sing	1.09Å	1.11Å
CG1	HG12	sing	1.09Å	1.12Å
CG1	HG13	sing	1.09Å	1.12Å
CG2	HG21	sing	1.09Å	1.11Å
CG2	HG22	sing	1.09Å	1.12Å
CG2	HG23	sing	1.09Å	1.11Å
N2	C19	sing	1.35Å	1.33Å
N2	HN2	sing	0.97Å	1.02Å
C19	O4	doub	1.21Å	1.21Å
C19	C18	sing	1.51Å	1.56Å
C18	C20	sing	1.53Å	1.54Å
C18	N4	sing	1.46Å	1.47Å
C18	H18	sing	1.09Å	1.11Å
C20	H201	sing	1.09Å	1.11Å
C20	H202	sing	1.09Å	1.12Å
C20	H203	sing	1.09Å	1.12Å
N4	C31	sing	1.35Å	1.33Å
N4	HN4	sing	0.97Å	1.02Å
C31	O8	doub	1.22Å	1.23Å
C31	O9	sing	1.35Å	1.35Å
O9	CA	sing	1.45Å	1.45Å
CA	C	sing	1.51Å	1.53Å
CA	HA1	sing	1.09Å	1.11Å
CA	HA2	sing	1.09Å	1.11Å
C	C13	doub	1.38Å	1.41Å	Aromatic
C	C17	sing	1.38Å	1.42Å	Aromatic
C13	C14	sing	1.38Å	1.41Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C14	C15	doub	1.38Å	1.41Å	Aromatic
C14	H14	sing	1.08Å	1.10Å
C15	C16	sing	1.38Å	1.42Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
C16	C17	doub	1.38Å	1.41Å	Aromatic
C16	H16	sing	1.08Å	1.10Å
C17	H17	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C3	112.1°	109.5°
C2	C1	N1	111.8°	109.5°
C2	C1	H1	107.7°	109.5°
C1	C2	O1	111.0°	109.5°
C1	C2	H21	111.7°	109.5°
C1	C2	H22	111.7°	109.4°
C3	C1	N1	114.0°	109.5°
C3	C1	H1	105.2°	109.4°
C1	C3	C4	118.3°	109.5°
C1	C3	H31	109.0°	109.5°
C1	C3	H32	109.0°	109.6°
N1	C1	H1	105.5°	109.5°
C1	N1	C11	120.9°	120.0°
C1	N1	HN1	124.6°	120.0°
O1	C2	H21	111.6°	109.5°
O1	C2	H22	111.7°	109.5°
C2	O1	HO1	111.0°	106.8°
H21	C2	H22	98.7°	109.4°
C4	C3	H31	109.0°	109.4°
C4	C3	H32	109.1°	109.5°
C3	C4	C5	119.6°	120.0°
C3	C4	C9	120.4°	120.0°
H31	C3	H32	101.1°	109.4°
C5	C4	C9	120.0°	120.0°
C4	C5	C6	120.4°	120.0°
C4	C5	H5	120.1°	120.0°
C4	C9	C8	119.2°	120.0°
C4	C9	H9	120.4°	120.0°
C6	C5	H5	119.4°	120.0°
C5	C6	C7	119.5°	120.0°
C5	C6	H6	120.0°	120.0°
C7	C6	H6	120.5°	120.0°
C6	C7	C8	120.0°	120.0°
C6	C7	H7	120.1°	120.0°
C8	C7	H7	119.9°	120.0°
C7	C8	C9	120.7°	120.1°
C7	C8	H8	119.6°	119.9°
C9	C8	H8	119.7°	120.0°
C8	C9	H9	120.4°	120.0°
C11	N1	HN1	114.5°	120.0°
N1	C11	C10	119.5°	120.0°
N1	C11	O2	122.8°	120.0°
C11	C10	C12	115.2°	109.5°
C11	C10	N2	108.0°	109.5°
C11	C10	H10	105.7°	109.5°
C10	C11	O2	117.7°	120.0°
C12	C10	N2	106.5°	109.4°
C12	C10	H10	107.2°	109.5°
C10	C12	CG1	112.9°	109.5°
C10	C12	CG2	112.6°	109.5°
C10	C12	H12	105.5°	109.5°
N2	C10	H10	114.5°	109.4°
C10	N2	C19	117.9°	120.0°
C10	N2	HN2	126.6°	120.0°
CG1	C12	CG2	111.5°	109.5°
CG1	C12	H12	106.8°	109.4°
C12	CG1	HG11	112.9°	109.5°
C12	CG1	HG12	111.0°	109.4°
C12	CG1	HG13	111.0°	109.5°
CG2	C12	H12	107.1°	109.5°
C12	CG2	HG21	112.6°	109.4°
C12	CG2	HG22	111.0°	109.4°
C12	CG2	HG23	111.1°	109.5°
HG11	CG1	HG12	111.0°	109.5°
HG11	CG1	HG13	110.9°	109.5°
HG12	CG1	HG13	99.3°	109.5°
HG21	CG2	HG22	111.0°	109.6°
HG21	CG2	HG23	111.1°	109.5°
HG22	CG2	HG23	99.3°	109.4°
C19	N2	HN2	115.5°	120.0°
N2	C19	O4	118.5°	120.1°
N2	C19	C18	115.5°	120.0°
O4	C19	C18	125.9°	119.9°
C19	C18	C20	110.0°	109.5°
C19	C18	N4	112.1°	109.5°
C19	C18	H18	107.3°	109.4°
C20	C18	N4	109.5°	109.5°
C20	C18	H18	110.1°	109.4°
C18	C20	H201	110.1°	109.4°
C18	C20	H202	112.0°	109.6°
C18	C20	H203	112.0°	109.6°
N4	C18	H18	107.9°	109.5°
C18	N4	C31	125.0°	120.0°
C18	N4	HN4	123.2°	120.0°
H201	C20	H202	112.0°	109.4°
H201	C20	H203	112.0°	109.4°
H202	C20	H203	98.3°	109.5°
C31	N4	HN4	111.7°	120.0°
N4	C31	O8	121.3°	120.0°
N4	C31	O9	113.9°	120.0°
O8	C31	O9	124.8°	120.0°
C31	O9	CA	113.8°	120.0°
O9	CA	C	101.6°	109.5°
O9	CA	HA1	115.2°	109.5°
O9	CA	HA2	115.2°	109.5°
C	CA	HA1	115.2°	109.5°
C	CA	HA2	115.2°	109.4°
CA	C	C13	120.3°	119.9°
CA	C	C17	119.3°	120.1°
HA1	CA	HA2	95.2°	109.4°
C13	C	C17	120.4°	120.0°
C	C13	C14	118.8°	120.0°
C	C13	H13	120.5°	120.0°
C	C17	C16	120.4°	120.0°
C	C17	H17	120.1°	120.0°
C14	C13	H13	120.8°	119.9°
C13	C14	C15	121.1°	120.0°
C13	C14	H14	119.6°	120.1°
C15	C14	H14	119.3°	119.9°
C14	C15	C16	120.0°	120.0°
C14	C15	H15	119.8°	120.1°
C16	C15	H15	120.3°	120.0°
C15	C16	C17	119.2°	120.0°
C15	C16	H16	120.7°	120.0°
C17	C16	H16	120.1°	120.0°
C16	C17	H17	119.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C3	N1	128.2°	120.0°
C2	C1	C3	H1	116.7°	120.0°
C2	C1	N1	H1	116.7°	120.0°
C1	C2	O1	H21	125.3°	120.0°
C1	C2	O1	H22	125.3°	120.0°
C1	C2	H21	H22	117.6°	119.9°
C1	C2	O1	HO1	180.0°	180.0°
C2	C1	C3	C4	174.1°	180.0°
C2	C1	C3	H31	48.8°	60.0°
C2	C1	C3	H32	60.6°	60.0°
C2	C1	N1	C11	119.7°	90.0°
C2	C1	N1	HN1	60.3°	90.0°
C3	C1	N1	H1	114.9°	120.0°
C3	C1	C2	O1	71.1°	60.0°
C3	C1	C2	H21	163.7°	179.9°
C3	C1	C2	H22	54.2°	60.0°
C1	C3	C4	H31	125.2°	120.0°
C1	C3	C4	H32	125.3°	120.1°
C1	C3	H31	H32	114.7°	120.1°
C1	C3	C4	C5	103.5°	90.0°
C1	C3	C4	C9	78.4°	90.3°
C3	C1	N1	C11	112.0°	150.0°
C3	C1	N1	HN1	68.1°	30.0°
N1	C1	C2	O1	58.3°	60.1°
N1	C1	C2	H21	67.0°	60.0°
N1	C1	C2	H22	176.4°	180.0°
N1	C1	C3	C4	45.9°	60.0°
N1	C1	C3	H31	79.4°	60.0°
N1	C1	C3	H32	171.2°	180.0°
C1	N1	C11	HN1	180.0°	179.9°
C1	N1	C11	C10	179.3°	174.9°
C1	N1	C11	O2	2.2°	5.2°
H1	C1	C2	O1	173.7°	180.0°
H1	C1	C2	H21	48.4°	60.0°
H1	C1	C2	H22	61.0°	60.0°
H1	C1	C3	C4	69.2°	60.0°
H1	C1	C3	H31	165.5°	180.0°
H1	C1	C3	H32	56.1°	60.0°
H1	C1	N1	C11	2.9°	30.0°
H1	C1	N1	HN1	177.0°	150.0°
O1	C2	H21	H22	117.5°	120.0°
H21	C2	O1	HO1	54.7°	60.0°
H22	C2	O1	HO1	54.7°	60.0°
C4	C3	H31	H32	114.8°	119.9°
C3	C4	C5	C9	178.1°	179.7°
C3	C4	C5	C6	178.8°	179.9°
C3	C4	C5	H5	1.2°	0.1°
C3	C4	C9	C8	177.6°	179.7°
C3	C4	C9	H9	2.4°	0.2°
H31	C3	C4	C5	21.7°	30.0°
H31	C3	C4	C9	156.4°	149.7°
H32	C3	C4	C5	131.3°	149.9°
H32	C3	C4	C9	46.9°	29.8°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	C7	3.4°	0.1°
C4	C5	C6	H6	176.6°	179.9°
C5	C4	C9	C8	4.2°	0.5°
C5	C4	C9	H9	175.8°	180.0°
C9	C4	C5	C6	0.7°	0.3°
C9	C4	C5	H5	179.4°	179.8°
C4	C9	C8	C7	3.7°	0.5°
C4	C9	C8	H9	180.0°	179.5°
C4	C9	C8	H8	176.2°	179.7°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C8	3.9°	0.0°
C5	C6	C7	H7	176.0°	180.0°
H5	C5	C6	C7	176.5°	179.9°
H5	C5	C6	H6	3.5°	0.0°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C9	0.3°	0.2°
C6	C7	C8	H8	179.7°	180.0°
H6	C6	C7	C8	176.1°	180.0°
H6	C6	C7	H7	4.0°	0.0°
C7	C8	C9	H8	180.0°	179.8°
C7	C8	C9	H9	176.3°	179.9°
H7	C7	C8	C9	179.6°	179.8°
H7	C7	C8	H8	0.3°	0.0°
H8	C8	C9	H9	3.8°	0.2°
N1	C11	C10	O2	178.6°	179.9°
N1	C11	C10	C12	144.9°	80.7°
N1	C11	C10	N2	96.1°	159.3°
N1	C11	C10	H10	26.8°	39.4°
HN1	N1	C11	C10	0.7°	5.1°
HN1	N1	C11	O2	177.8°	174.9°
C11	C10	C12	N2	119.8°	120.0°
C11	C10	C12	H10	117.3°	120.1°
C11	C10	N2	H10	117.4°	120.0°
C11	C10	C12	CG1	32.1°	177.5°
C11	C10	C12	CG2	159.4°	62.4°
C11	C10	C12	H12	84.1°	57.6°
C11	C10	N2	C19	130.5°	150.0°
C11	C10	N2	HN2	49.4°	30.0°
C12	C10	N2	H10	118.3°	120.0°
C12	C10	C11	O2	36.5°	99.2°
C10	C12	CG1	CG2	127.9°	120.0°
C10	C12	CG1	H12	115.4°	120.0°
C10	C12	CG2	H12	115.5°	120.0°
C10	C12	CG1	HG11	180.0°	179.9°
C10	C12	CG1	HG12	54.7°	60.0°
C10	C12	CG1	HG13	54.7°	60.0°
C10	C12	CG2	HG21	180.0°	60.7°
C10	C12	CG2	HG22	54.8°	59.4°
C10	C12	CG2	HG23	54.7°	179.3°
C12	C10	N2	C19	105.2°	90.0°
C12	C10	N2	HN2	74.8°	90.0°
N2	C10	C11	O2	82.4°	20.7°
N2	C10	C12	CG1	151.9°	62.4°
N2	C10	C12	CG2	80.8°	57.6°
N2	C10	C12	H12	35.7°	177.6°
C10	N2	C19	HN2	179.9°	180.0°
C10	N2	C19	O4	3.6°	0.0°
C10	N2	C19	C18	175.1°	180.0°
H10	C10	C11	O2	154.6°	140.7°
H10	C10	C12	CG1	85.1°	57.5°
H10	C10	C12	CG2	42.2°	177.5°
H10	C10	C12	H12	158.6°	62.5°
H10	C10	N2	C19	13.1°	30.0°
H10	C10	N2	HN2	166.8°	150.1°
CG1	C12	CG2	H12	116.5°	120.0°
C12	CG1	HG11	HG12	125.3°	120.0°
C12	CG1	HG11	HG13	125.3°	120.0°
C12	CG1	HG12	HG13	116.8°	120.0°
CG1	C12	CG2	HG21	51.9°	59.4°
CG1	C12	CG2	HG22	73.3°	179.5°
CG1	C12	CG2	HG23	177.2°	60.6°
CG2	C12	CG1	HG11	52.1°	60.0°
CG2	C12	CG1	HG12	177.4°	180.0°
CG2	C12	CG1	HG13	73.2°	60.0°
C12	CG2	HG21	HG22	125.2°	120.0°
C12	CG2	HG21	HG23	125.3°	120.0°
C12	CG2	HG22	HG23	116.9°	119.9°
H12	C12	CG1	HG11	64.6°	60.0°
H12	C12	CG1	HG12	60.7°	60.0°
H12	C12	CG1	HG13	170.2°	180.0°
H12	C12	CG2	HG21	64.5°	179.3°
H12	C12	CG2	HG22	170.2°	60.6°
H12	C12	CG2	HG23	60.8°	59.3°
HG11	CG1	HG12	HG13	116.8°	120.1°
HG21	CG2	HG22	HG23	116.9°	120.1°
N2	C19	O4	C18	178.5°	180.0°
N2	C19	C18	C20	106.3°	59.9°
N2	C19	C18	N4	131.7°	180.0°
N2	C19	C18	H18	13.4°	60.0°
HN2	N2	C19	O4	176.5°	180.0°
HN2	N2	C19	C18	4.8°	0.0°
O4	C19	C18	C20	72.3°	120.0°
O4	C19	C18	N4	49.8°	0.0°
O4	C19	C18	H18	168.0°	120.0°
C19	C18	C20	N4	123.6°	120.0°
C19	C18	C20	H18	118.0°	119.9°
C19	C18	N4	H18	117.9°	120.0°
C19	C18	C20	H201	180.0°	60.1°
C19	C18	C20	H202	54.7°	59.9°
C19	C18	C20	H203	54.7°	180.0°
C19	C18	N4	C31	71.9°	150.0°
C19	C18	N4	HN4	108.0°	30.0°
C20	C18	N4	H18	119.8°	120.0°
C18	C20	H201	H202	125.3°	120.1°
C18	C20	H201	H203	125.3°	120.0°
C18	C20	H202	H203	117.9°	120.2°
C20	C18	N4	C31	165.7°	90.0°
C20	C18	N4	HN4	14.3°	90.1°
N4	C18	C20	H201	56.4°	60.0°
N4	C18	C20	H202	68.9°	180.0°
N4	C18	C20	H203	178.3°	59.9°
C18	N4	C31	HN4	180.0°	180.0°
C18	N4	C31	O8	14.9°	0.0°
C18	N4	C31	O9	166.0°	180.0°
H18	C18	C20	H201	62.0°	180.0°
H18	C18	C20	H202	172.7°	60.0°
H18	C18	C20	H203	63.3°	60.1°
H18	C18	N4	C31	46.0°	30.0°
H18	C18	N4	HN4	134.1°	150.0°
H201	C20	H202	H203	117.9°	119.8°
N4	C31	O8	O9	179.1°	179.9°
N4	C31	O9	CA	171.3°	180.0°
HN4	N4	C31	O8	165.2°	179.9°
HN4	N4	C31	O9	14.0°	0.0°
O8	C31	O9	CA	7.9°	0.1°
C31	O9	CA	C	164.6°	180.0°
C31	O9	CA	HA1	39.3°	60.0°
C31	O9	CA	HA2	70.2°	60.0°
O9	CA	C	HA1	125.3°	120.1°
O9	CA	C	HA2	125.3°	120.0°
O9	CA	HA1	HA2	121.1°	120.0°
O9	CA	C	C13	110.7°	90.0°
O9	CA	C	C17	68.7°	90.2°
C	CA	HA1	HA2	121.1°	119.9°
CA	C	C13	C17	179.4°	179.8°
CA	C	C13	C14	178.7°	180.0°
CA	C	C13	H13	1.3°	0.0°
CA	C	C17	C16	179.3°	179.7°
CA	C	C17	H17	0.8°	0.2°
HA1	CA	C	C13	14.6°	30.1°
HA1	CA	C	C17	166.0°	149.7°
HA2	CA	C	C13	124.0°	150.0°
HA2	CA	C	C17	56.5°	29.8°
C	C13	C14	H13	180.0°	180.0°
C	C13	C14	C15	1.1°	0.0°
C	C13	C14	H14	178.9°	179.9°
C13	C	C17	C16	1.3°	0.5°
C13	C	C17	H17	178.7°	179.9°
C17	C	C13	C14	0.7°	0.3°
C17	C	C13	H13	179.3°	179.7°
C	C17	C16	C15	3.0°	0.5°
C	C17	C16	H17	180.0°	179.6°
C	C17	C16	H16	177.1°	179.7°
C13	C14	C15	H14	180.0°	179.9°
C13	C14	C15	C16	0.6°	0.0°
C13	C14	C15	H15	179.4°	179.9°
H13	C13	C14	C15	178.9°	180.0°
H13	C13	C14	H14	1.1°	0.1°
C14	C15	C16	H15	180.0°	179.9°
C14	C15	C16	C17	2.6°	0.2°
C14	C15	C16	H16	177.5°	180.0°
H14	C14	C15	C16	179.5°	179.9°
H14	C14	C15	H15	0.6°	0.0°
C15	C16	C17	H16	179.9°	179.8°
C15	C16	C17	H17	177.0°	179.9°
H15	C15	C16	C17	177.4°	179.9°
H15	C15	C16	H16	2.5°	0.1°
H16	C16	C17	H17	2.9°	0.2°

Definition date:	1999-07-08
Last modified:	2009-12-09
Release status:	OBS
Processing site:	RCSB
Replaced by:	3TL
Derived from:	6FIV